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

Systemtic Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]-(3-methoxyphenyl)methanone Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

InChI

InChI=1S/C21H24N4O4/c1-29-18-4-2-3-15(13-18)21(26)24-11-9-23(10-12-24)17-7-8-20(25(27)28)19(14-17)22-16-5-6-16/h2-4,7-8,13-14,16,22H,5-6,9-12H2,1H3