(3S)-5-phenyl-3-(phenylmethyl)-8-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride

Systemtic Name: (3S)-5-phenyl-3-(phenylmethyl)-8-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Openeye Name: (3S)-3-benzyl-5-phenyl-8-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride CAS Name: (3S)-5-phenyl-3-(phenylmethyl)-8-(1-piperazinyl)-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride IUPAC Name: (3S)-3-benzyl-5-phenyl-8-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Traditional Name: (3S)-3-benzyl-5-phenyl-8-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=CC3=C(C=C2)C(=NC(C(=O)N3)CC4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1)C2=CC3=C(C=C2)C(=N[C@H](C(=O)N3)CC4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C26H26N4O.2ClH/c31-26-24(17-19-7-3-1-4-8-19)28-25(20-9-5-2-6-10-20)22-12-11-21(18-23(22)29-26)30-15-13-27-14-16-30;;/h1-12,18,24,27H,13-17H2,(H,29,31);2*1H/t24-;;/m0../s1