N-[4-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(1-methyl-2-benzimidazolyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[(1-methylbenzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C23H29N5O/c1-18(29)24-20-10-8-19(9-11-20)16-27-12-5-13-28(15-14-27)17-23-25-21-6-3-4-7-22(21)26(23)2/h3-4,6-11H,5,12-17H2,1-2H3,(H,24,29)