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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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