R0Z
Summary
Name: | elacridar |
Synonyms: | ~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide |
Formula: | C34 H33 N3 O5 |
Formal charge: | 0 |
Formula weight: | 563.643 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38) |
InChIKey | InChI | 1.03 | OSFCMRGOZNQUSW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2C(=O)c3cccc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)c3Nc12 |
SMILES | CACTVS | 3.385 | COc1cccc2C(=O)c3cccc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)c3Nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O |