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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]propanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazinyl]propanamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 2-(4-benzylpiperazino)-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-16(21(26)22-19-9-8-18(29-2)14-20(19)25(27)28)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,26)