7-chloranyl-5-phenyl-3-[[1-(phenylmethyl)piperidin-4-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-phenyl-3-[[1-(phenylmethyl)piperidin-4-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 3-[(1-benzyl-4-piperidyl)amino]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-phenyl-3-[[1-(phenylmethyl)-4-piperidinyl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 3-[(1-benzylpiperidin-4-yl)amino]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 3-[(1-benzyl-4-piperidyl)amino]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C27H27ClN4O MolecularWeight: 458.98248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27ClN4O/c28-21-11-12-24-23(17-21)25(20-9-5-2-6-10-20)31-26(27(33)30-24)29-22-13-15-32(16-14-22)18-19-7-3-1-4-8-19/h1-12,17,22,26,29H,13-16,18H2,(H,30,33)