2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanenitrile

Systemtic Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(3-nitrophenyl)ethanenitrile Openeye Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(3-nitrophenyl)acetonitrile CAS Name: 2-(3-nitrophenyl)-2-[4-(1-oxo-3,3-diphenylpropyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(3-nitrophenyl)acetonitrile Traditional Name: 2-[4-(3,3-diphenylpropanoyl)piperazino]-2-(3-nitrophenyl)acetonitrile Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3/c28-20-26(23-12-7-13-24(18-23)31(33)34)29-14-16-30(17-15-29)27(32)19-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,25-26H,14-17,19H2