N-[2-(aminomethyl)-1H-benzimidazol-4-yl]-2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzamide

Systemtic Name: N-[2-(aminomethyl)-1H-benzimidazol-4-yl]-2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzamide Openeye Name: N-[2-(aminomethyl)-1H-benzimidazol-4-yl]-2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzamide CAS Name: N-[2-(aminomethyl)-1H-benzimidazol-4-yl]-2-methoxy-4-[oxo(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide IUPAC Name: N-[2-(aminomethyl)-1H-benzimidazol-4-yl]-2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzamide Traditional Name: N-[2-(aminomethyl)-1H-benzimidazol-4-yl]-2-methoxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzamide Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)C(=O)NC4=CC=CC5=C4N=C(N5)CN

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)C(=O)NC4=CC=CC5=C4N=C(N5)CN

InChI

InChI=1S/C27H27N5O3/c1-35-23-15-18(27(34)32-14-5-4-8-17-7-2-3-11-22(17)32)12-13-19(23)26(33)30-21-10-6-9-20-25(21)31-24(16-28)29-20/h2-3,6-7,9-13,15H,4-5,8,14,16,28H2,1H3,(H,29,31)(H,30,33)