1-[(2R)-1-(4-methylphenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[(2R)-1-(4-methylphenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-[(1R)-1-methyl-2-(p-tolyl)ethyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[(2R)-1-(4-methylphenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-[(2R)-1-(4-methylphenyl)propan-2-yl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-[(1R)-1-methyl-2-(p-tolyl)ethyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C)N2CCC(=O)N(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H](C)N2CCC(=O)N(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O/c1-17-3-5-19(6-4-17)15-18(2)23-12-9-21(25)24(14-13-23)16-20-7-10-22-11-8-20/h3-8,10-11,18H,9,12-16H2,1-2H3/t18-/m1/s1