4-(1H-benzimidazol-2-ylmethyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H25N5O2/c1-28-17-7-4-6-16(14-17)22-21(27)26-11-5-10-25(12-13-26)15-20-23-18-8-2-3-9-19(18)24-20/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,22,27)(H,23,24)