6-methoxy-4-[3-(2-methylbenzimidazol-1-yl)propanoyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-methoxy-4-[3-(2-methylbenzimidazol-1-yl)propanoyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-methoxy-4-[3-(2-methylbenzimidazol-1-yl)propanoyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-methoxy-4-[3-(2-methyl-1-benzimidazolyl)-1-oxopropyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-methoxy-4-[3-(2-methylbenzimidazol-1-yl)propanoyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-methoxy-4-[3-(2-methylbenzimidazol-1-yl)propanoyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC(=O)N3CC(CN(C(=O)C3)CC4=CN=CC=C4)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC(=O)N3CC(CN(C(=O)C3)CC4=CN=CC=C4)OC

InChI

InChI=1S/C23H27N5O3/c1-17-25-20-7-3-4-8-21(20)28(17)11-9-22(29)27-15-19(31-2)14-26(23(30)16-27)13-18-6-5-10-24-12-18/h3-8,10,12,19H,9,11,13-16H2,1-2H3