2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazino]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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