4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(2-methoxy-5-methyl-benzyl)piperazino]-3-nitro-benzonitrile Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c1-15-3-6-20(27-2)17(11-15)14-22-7-9-23(10-8-22)18-5-4-16(13-21)12-19(18)24(25)26/h3-6,11-12H,7-10,14H2,1-2H3