1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-[(2-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-4-(2-nitroanilino)-1-butanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(2-nitroanilino)butan-1-one Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-4-(2-nitroanilino)butan-1-one Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-29-18-10-8-17(9-11-18)23-13-15-24(16-14-23)21(26)7-4-12-22-19-5-2-3-6-20(19)25(27)28/h2-3,5-6,8-11,22H,4,7,12-16H2,1H3