W7R
Summary
| Name: | 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide |
| Formula: | C27 H27 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 469.535 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H27N5O3/c1-18-16-32(13-14-35-18)17-20-9-5-6-10-21(20)26(33)31-25-27(34)29-23-15-28-12-11-22(23)24(30-25)19-7-3-2-4-8-19/h2-12,15,18,25H,13-14,16-17H2,1H3,(H,29,34)(H,31,33)/t18-,25+/m0/s1 |
| InChIKey | InChI | 1.06 | JNGHRJXDWKEWQM-AVRWGWEMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(CCO1)Cc2ccccc2C(=O)N[C@H]3N=C(c4ccccc4)c5ccncc5NC3=O |
| SMILES | CACTVS | 3.385 | C[CH]1CN(CCO1)Cc2ccccc2C(=O)N[CH]3N=C(c4ccccc4)c5ccncc5NC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN(CCO1)Cc2ccccc2C(=O)N[C@@H]3C(=O)Nc4cnccc4C(=N3)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCO1)Cc2ccccc2C(=O)NC3C(=O)Nc4cnccc4C(=N3)c5ccccc5 |
