N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(2-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(2-nitrophenyl)piperazino]acetamide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c1-18-8-9-20(16-19(18)2)27(11-5-10-24)23(29)17-25-12-14-26(15-13-25)21-6-3-4-7-22(21)28(30)31/h3-4,6-9,16H,5,11-15,17H2,1-2H3