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

Systemtic Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]-(2-methoxyphenyl)methanone Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4

InChI

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