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

Systemtic Name: 4-[3-(aminomethyl)phenyl]carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-[3-(aminomethyl)benzoyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-[[3-(aminomethyl)phenyl]-oxomethyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-[3-(aminomethyl)benzoyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-[3-(aminomethyl)benzoyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)CN)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)CN)C5=CC=NC=C5

InChI

InChI=1S/C28H31N5O2/c29-17-22-4-3-6-23(16-22)28(35)32-19-24-5-1-2-7-26(24)33(27(34)20-32)18-21-10-14-31(15-11-21)25-8-12-30-13-9-25/h1-9,12-13,16,21H,10-11,14-15,17-20,29H2