1-cyclohexyl-4-(6-methylpyridin-3-yl)carbonyl-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 1-cyclohexyl-4-(6-methylpyridin-3-yl)carbonyl-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-1-cyclohexyl-4-(6-methylpyridine-3-carbonyl)-1,4-diazepan-2-one CAS Name: 1-cyclohexyl-4-[(6-methyl-3-pyridinyl)-oxomethyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 1-cyclohexyl-4-(6-methylpyridine-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-1-cyclohexyl-4-(6-methylnicotinoyl)-1,4-diazepan-2-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-19-12-13-21(14-26-19)25(30)27-15-23(31-18-20-8-4-2-5-9-20)16-28(24(29)17-27)22-10-6-3-7-11-22/h2,4-5,8-9,12-14,22-23H,3,6-7,10-11,15-18H2,1H3