4-[(2-nitrophenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-[(2-nitrophenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-(2-nitroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-(2-nitroanilino)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(2-nitroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-(2-nitroanilino)-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c25-17(7-3-8-19-15-5-1-2-6-16(15)24(26)27)22-11-13-23(14-12-22)18-20-9-4-10-21-18/h1-2,4-6,9-10,19H,3,7-8,11-14H2