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

Systemtic Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxy-3-methyl-phenyl)methanone Openeye Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxy-3-methyl-phenyl)methanone CAS Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]-(2-methoxy-3-methylphenyl)methanone IUPAC Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-(2-methoxy-3-methylphenyl)methanone Traditional Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]-(2-methoxy-3-methyl-phenyl)methanone Formula: C22H26N4O4 MolecularWeight: 410.46624

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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-])NC4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

InChI

InChI=1S/C22H26N4O4/c1-15-4-3-5-18(21(15)30-2)22(27)25-12-10-24(11-13-25)17-8-9-20(26(28)29)19(14-17)23-16-6-7-16/h3-5,8-9,14,16,23H,6-7,10-13H2,1-2H3