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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]propanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazinyl]propanamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 2-(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)C(C)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-16-14-19(25(27)28)8-9-20(16)22-21(26)17(2)24-12-10-23(11-13-24)15-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,26)