3-methoxy-4-methyl-N-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methyl]benzamide

Systemtic Name: 3-methoxy-4-methyl-N-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methyl]benzamide Openeye Name: N-[[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]-3-methoxy-4-methyl-benzamide CAS Name: 3-methoxy-4-methyl-N-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-[[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]methyl]-3-methoxy-4-methylbenzamide Traditional Name: N-[[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]methyl]-3-methoxy-4-methyl-benzamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H31N5O4/c1-20-8-9-22(16-26(20)36-2)27(33)29-19-30-12-14-31(15-13-30)23-10-11-25(32(34)35)24(17-23)28-18-21-6-4-3-5-7-21/h3-11,16-17,28H,12-15,18-19H2,1-2H3,(H,29,33)