VMZ
Summary
Name: | 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone |
Formula: | C27 H33 Cl N6 O |
Formal charge: | 0 |
Formula weight: | 493.044 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C27H33ClN6O/c1-19(35)33-14-16-34(17-15-33)22-8-9-23-24(18-22)31-26(32-25(23)30-13-12-29)27(10-2-3-11-27)20-4-6-21(28)7-5-20/h4-9,18H,2-3,10-17,29H2,1H3,(H,30,31,32) |
InChIKey | InChI | 1.06 | QNLFBABAPIXMQM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCC4)c5ccc(Cl)cc5 |
SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCC4)c5ccc(Cl)cc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CCCC4)c5ccc(cc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CCCC4)c5ccc(cc5)Cl |