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

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(4-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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3/c1-18-4-5-22(16-19(18)2)27(11-3-10-24)23(29)17-25-12-14-26(15-13-25)20-6-8-21(9-7-20)28(30)31/h4-9,16H,3,11-15,17H2,1-2H3