(3S)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride

Systemtic Name: (3S)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Openeye Name: (3S)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride CAS Name: (3S)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-9-(1-piperazinyl)-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride IUPAC Name: (3S)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Traditional Name: (3S)-3-(4-hydroxybenzyl)-5-phenyl-9-piperazino-1,3-dihydro-1,4-benzodiazepin-2-one dihydrochloride Formula: C26H28Cl2N4O2 MolecularWeight: 499.43212

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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=C(C=C5)O.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O2.2ClH/c31-20-11-9-18(10-12-20)17-22-26(32)29-25-21(24(28-22)19-5-2-1-3-6-19)7-4-8-23(25)30-15-13-27-14-16-30;;/h1-12,22,27,31H,13-17H2,(H,29,32);2*1H/t22-;;/m0../s1