(E)-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[4-[(3-nitrophenyl)methoxy]phenyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[4-(3-nitrobenzyl)oxyphenyl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC=C(C=C3)OCC4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC(=CC=C4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C27H24N4O4/c28-19-23(27(32)30-15-13-29(14-16-30)24-6-2-1-3-7-24)17-21-9-11-26(12-10-21)35-20-22-5-4-8-25(18-22)31(33)34/h1-12,17-18H,13-16,20H2/b23-17+