N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[4-(2-methylphenyl)piperazin-1-yl]aniline

Systemtic Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[4-(2-methylphenyl)piperazin-1-yl]aniline Openeye Name: N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[4-(o-tolyl)piperazin-1-yl]aniline CAS Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]aniline IUPAC Name: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[4-(2-methylphenyl)piperazin-1-yl]aniline Traditional Name: (4,5-dimethoxy-2-nitro-benzyl)-[4-[4-(o-tolyl)piperazino]phenyl]amine Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC(=C(C=C4[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC(=C(C=C4[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H30N4O4/c1-19-6-4-5-7-23(19)29-14-12-28(13-15-29)22-10-8-21(9-11-22)27-18-20-16-25(33-2)26(34-3)17-24(20)30(31)32/h4-11,16-17,27H,12-15,18H2,1-3H3