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

Systemtic Name: 4-(4-ethylphenyl)carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-(4-ethylbenzoyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-[(4-ethylphenyl)-oxomethyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-ethylbenzoyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-(4-ethylbenzoyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3N(C(=O)C2)CC4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC3=CC=CC=C3N(C(=O)C2)CC4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C29H32N4O2/c1-2-22-7-9-24(10-8-22)29(35)32-20-25-5-3-4-6-27(25)33(28(34)21-32)19-23-13-17-31(18-14-23)26-11-15-30-16-12-26/h3-12,15-16,23H,2,13-14,17-21H2,1H3