4-(4-methylphenyl)carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-methylphenyl)carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-(4-methylbenzoyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-[(4-methylphenyl)-oxomethyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-methylbenzoyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-p-toluoyl-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3N(C(=O)C2)CC4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3N(C(=O)C2)CC4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C28H30N4O2/c1-21-6-8-23(9-7-21)28(34)31-19-24-4-2-3-5-26(24)32(27(33)20-31)18-22-12-16-30(17-13-22)25-10-14-29-15-11-25/h2-11,14-15,22H,12-13,16-20H2,1H3