N-(2-methyl-4-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazin-1-yl)-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-(4-benzylpiperazino)-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-17-15-19(25(27)28)7-8-20(17)22-21(26)9-10-23-11-13-24(14-12-23)16-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,22,26)