N-(2-methoxy-5-nitro-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C25H23N7O4 MolecularWeight: 485.49462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H23N7O4/c1-36-22-8-7-17(32(34)35)15-21(22)29-24(33)20-16-28-23(19-6-3-2-5-18(19)20)30-11-13-31(14-12-30)25-26-9-4-10-27-25/h2-10,15-16H,11-14H2,1H3,(H,29,33)