6-(2-methoxyethanoylamino)-N-[(3S)-2-oxidanylideneazepan-3-yl]-3-phenethyl-benzimidazole-4-carboxamide

Systemtic Name: 6-(2-methoxyethanoylamino)-N-[(3S)-2-oxidanylideneazepan-3-yl]-3-phenethyl-benzimidazole-4-carboxamide Openeye Name: 6-[(2-methoxyacetyl)amino]-N-[(3S)-2-oxoazepan-3-yl]-3-phenethyl-benzimidazole-4-carboxamide CAS Name: 6-[(2-methoxy-1-oxoethyl)amino]-N-[(3S)-2-oxo-3-azepanyl]-3-phenethyl-4-benzimidazolecarboxamide IUPAC Name: 6-[(2-methoxyacetyl)amino]-N-[(3S)-2-oxoazepan-3-yl]-3-phenethylbenzimidazole-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-6-[(2-methoxyacetyl)amino]-3-phenethyl-benzimidazole-4-carboxamide Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC2=C(C(=C1)C(=O)NC3CCCCNC3=O)N(C=N2)CCC4=CC=CC=C4

Isomeric SMILES

COCC(=O)NC1=CC2=C(C(=C1)C(=O)N[C@H]3CCCCNC3=O)N(C=N2)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N5O4/c1-34-15-22(31)28-18-13-19(24(32)29-20-9-5-6-11-26-25(20)33)23-21(14-18)27-16-30(23)12-10-17-7-3-2-4-8-17/h2-4,7-8,13-14,16,20H,5-6,9-12,15H2,1H3,(H,26,33)(H,28,31)(H,29,32)/t20-/m0/s1