4-(1H-benzimidazol-2-ylmethyl)-N-(2-chloranyl-5-methyl-phenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2-chloranyl-5-methyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2-chloro-5-methyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2-chloro-5-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2-chloro-5-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2-chloro-5-methyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24ClN5O/c1-15-7-8-16(22)19(13-15)25-21(28)27-10-4-9-26(11-12-27)14-20-23-17-5-2-3-6-18(17)24-20/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,23,24)(H,25,28)