A1LZ7
Summary
| Name: | ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide |
| Formula: | C30 H35 N3 O |
| Formal charge: | 0 |
| Formula weight: | 453.618 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H35N3O/c1-4-32-16-17-33(19-21(32)3)24-12-8-20(2)26(18-24)29(34)31-30(14-15-30)27-13-11-23-10-9-22-6-5-7-25(27)28(22)23/h5-8,11-13,18,21H,4,9-10,14-17,19H2,1-3H3,(H,31,34)/t21-/m0/s1 |
| InChIKey | InChI | 1.06 | CVNXPJQPKSLBEK-NRFANRHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCN(C[C@@H]1C)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc4c56 |
| SMILES | CACTVS | 3.385 | CCN1CCN(C[CH]1C)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc4c56 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1CCN(C[C@@H]1C)c2ccc(c(c2)C(=O)NC3(CC3)c4ccc5c6c4cccc6CC5)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1CCN(CC1C)c2ccc(c(c2)C(=O)NC3(CC3)c4ccc5c6c4cccc6CC5)C |
