2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazino]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N5O3/c1-23(19-6-8-20(9-7-19)26(28)29)21(27)16-25-12-10-24(11-13-25)15-18-4-2-17(14-22)3-5-18/h2-9H,10-13,15-16H2,1H3