N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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