(3S)-5-phenyl-3-(phenylmethyl)-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride

Systemtic Name: (3S)-5-phenyl-3-(phenylmethyl)-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Openeye Name: (3S)-3-benzyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride CAS Name: (3S)-5-phenyl-3-(phenylmethyl)-9-(1-piperazinyl)-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride IUPAC Name: (3S)-3-benzyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Traditional Name: (3S)-3-benzyl-5-phenyl-9-piperazino-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Formula: C26H28Cl2N4O MolecularWeight: 483.43272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2NC(=O)C(N=C3C4=CC=CC=C4)CC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2NC(=O)[C@@H](N=C3C4=CC=CC=C4)CC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C26H26N4O.2ClH/c31-26-22(18-19-8-3-1-4-9-19)28-24(20-10-5-2-6-11-20)21-12-7-13-23(25(21)29-26)30-16-14-27-15-17-30;;/h1-13,22,27H,14-18H2,(H,29,31);2*1H/t22-;;/m0../s1