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

Systemtic Name: (3S)-3-phenethyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: (3S)-3-phenethyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: (3S)-3-phenethyl-5-phenyl-9-(1-piperazinyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: (3S)-3-phenethyl-5-phenyl-9-piperazin-1-yl-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: (3S)-3-phenethyl-5-phenyl-9-piperazino-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C27H28N4O MolecularWeight: 424.53742

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O/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)/t23-/m0/s1