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

Systemtic Name: (3S)-3-phenethyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Openeye Name: (3S)-3-phenethyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride CAS Name: (3S)-3-phenethyl-5-phenyl-9-(1-piperazinyl)-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride IUPAC Name: (3S)-3-phenethyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Traditional Name: (3S)-3-phenethyl-5-phenyl-9-piperazino-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Formula: C27H30Cl2N4O MolecularWeight: 497.4593

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2NC(=O)C(N=C3C4=CC=CC=C4)CCC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2NC(=O)[C@@H](N=C3C4=CC=CC=C4)CCC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C27H28N4O.2ClH/c32-27-23(15-14-20-8-3-1-4-9-20)29-25(21-10-5-2-6-11-21)22-12-7-13-24(26(22)30-27)31-18-16-28-17-19-31;;/h1-13,23,28H,14-19H2,(H,30,32);2*1H/t23-;;/m0../s1