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

Systemtic Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]-(o-tolyl)methanone Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

InChI

InChI=1S/C21H24N4O3/c1-15-4-2-3-5-18(15)21(26)24-12-10-23(11-13-24)17-8-9-20(25(27)28)19(14-17)22-16-6-7-16/h2-5,8-9,14,16,22H,6-7,10-13H2,1H3