3-[(2-nitrophenyl)amino]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide

Systemtic Name: 3-[(2-nitrophenyl)amino]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Openeye Name: 3-(2-nitroanilino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide CAS Name: 3-(2-nitroanilino)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]propanamide IUPAC Name: 3-(2-nitroanilino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Traditional Name: 3-(2-nitroanilino)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]propionamide Formula: C20H27N7O3 MolecularWeight: 413.47348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C20H27N7O3/c28-19(7-11-21-17-5-1-2-6-18(17)27(29)30)22-10-4-12-25-13-15-26(16-14-25)20-23-8-3-9-24-20/h1-3,5-6,8-9,21H,4,7,10-16H2,(H,22,28)