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

Systemtic Name: 4-[(4-nitrophenyl)amino]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide Openeye Name: 4-(4-nitroanilino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide CAS Name: 4-(4-nitroanilino)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]butanamide IUPAC Name: 4-(4-nitroanilino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide Traditional Name: 4-(4-nitroanilino)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]butyramide Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C21H29N7O3/c29-20(4-1-9-22-18-5-7-19(8-6-18)28(30)31)23-12-3-13-26-14-16-27(17-15-26)21-24-10-2-11-25-21/h2,5-8,10-11,22H,1,3-4,9,12-17H2,(H,23,29)