1-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-[(2-nitrophenyl)amino]propan-1-one Openeye Name: 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one CAS Name: 1-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-(2-nitroanilino)-1-propanone IUPAC Name: 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-(2-nitroanilino)propan-1-one Traditional Name: 3-(2-nitroanilino)-1-(4-veratroylpiperazino)propan-1-one Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCNC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C22H26N4O6/c1-31-19-8-7-16(15-20(19)32-2)22(28)25-13-11-24(12-14-25)21(27)9-10-23-17-5-3-4-6-18(17)26(29)30/h3-8,15,23H,9-14H2,1-2H3