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

Systemtic Name: (2-methoxy-3-methyl-phenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxy-3-methyl-phenyl)methanone CAS Name: (2-methoxy-3-methylphenyl)-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(2-methoxy-3-methylphenyl)methanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(2-methoxy-3-methyl-phenyl)methanone Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-19-7-6-10-22(25(19)34-2)26(31)29-15-13-28(14-16-29)21-11-12-24(30(32)33)23(17-21)27-18-20-8-4-3-5-9-20/h3-12,17,27H,13-16,18H2,1-2H3