E7E
Summary
| Name: | ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide |
| Formula: | C17 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 308.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O2/c18-9-10-3-1-4-11(7-10)20-17(23)12-5-2-6-14-13(12)8-15(21-14)16(19)22/h1-8,21H,9,18H2,(H2,19,22)(H,20,23) |
| InChIKey | InChI | 1.03 | BDFMFQJHWMAJCS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(NC(=O)c2cccc3[nH]c(cc23)C(N)=O)c1 |
| SMILES | CACTVS | 3.385 | NCc1cccc(NC(=O)c2cccc3[nH]c(cc23)C(N)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN |
