A1EL5
Summary
| Name: | (R)-N-((S)-4-methoxy-14-methyl-5-oxo-5,7,8,13,13b,14-hexahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-11-yl)pyrrolidine-2-carboxamide |
| Formula: | C25 H27 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 445.514 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H27N5O3/c1-29-19-6-3-7-20(33-2)21(19)25(32)30-12-10-16-15-9-8-14(13-18(15)28-22(16)24(29)30)27-23(31)17-5-4-11-26-17/h3,6-9,13,17,24,26,28H,4-5,10-12H2,1-2H3,(H,27,31)/t17-,24+/m1/s1 |
| InChIKey | InChI | 1.06 | AQFIRGPZQUJRJS-OSPHWJPCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2N(C)[C@H]3N(CCc4c3[nH]c5cc(NC(=O)[C@H]6CCCN6)ccc45)C(=O)c12 |
| SMILES | CACTVS | 3.385 | COc1cccc2N(C)[CH]3N(CCc4c3[nH]c5cc(NC(=O)[CH]6CCCN6)ccc45)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5ccc(cc5[nH]4)NC(=O)[C@H]6CCCN6)CC3)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2cccc(c2C(=O)N3C1c4c(c5ccc(cc5[nH]4)NC(=O)C6CCCN6)CC3)OC |
