6-acetamido-N-[3-(benzotriazol-1-yl)propyl]-2-methyl-3-(phenylmethyl)benzimidazole-4-carboxamide

Systemtic Name: 6-acetamido-N-[3-(benzotriazol-1-yl)propyl]-2-methyl-3-(phenylmethyl)benzimidazole-4-carboxamide Openeye Name: 6-acetamido-N-[3-(benzotriazol-1-yl)propyl]-3-benzyl-2-methyl-benzimidazole-4-carboxamide CAS Name: 6-acetamido-N-[3-(1-benzotriazolyl)propyl]-2-methyl-3-(phenylmethyl)-4-benzimidazolecarboxamide IUPAC Name: 6-acetamido-N-[3-(benzotriazol-1-yl)propyl]-3-benzyl-2-methylbenzimidazole-4-carboxamide Traditional Name: 6-acetamido-N-[3-(benzotriazol-1-yl)propyl]-3-benzyl-2-methyl-benzimidazole-4-carboxamide Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C)C(=O)NCCCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=CC(=C2)NC(=O)C)C(=O)NCCCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H27N7O2/c1-18-29-24-16-21(30-19(2)35)15-22(26(24)33(18)17-20-9-4-3-5-10-20)27(36)28-13-8-14-34-25-12-7-6-11-23(25)31-32-34/h3-7,9-12,15-16H,8,13-14,17H2,1-2H3,(H,28,36)(H,30,35)