6-(4-methylpiperazin-1-yl)-4-[[4-(phenylcarbamoyl)phenyl]amino]cinnoline-3-carboxamide

Systemtic Name: 6-(4-methylpiperazin-1-yl)-4-[[4-(phenylcarbamoyl)phenyl]amino]cinnoline-3-carboxamide Openeye Name: 6-(4-methylpiperazin-1-yl)-4-[4-(phenylcarbamoyl)anilino]cinnoline-3-carboxamide CAS Name: 4-[4-[anilino(oxo)methyl]anilino]-6-(4-methyl-1-piperazinyl)-3-cinnolinecarboxamide IUPAC Name: 6-(4-methylpiperazin-1-yl)-4-[4-(phenylcarbamoyl)anilino]cinnoline-3-carboxamide Traditional Name: 6-(4-methylpiperazino)-4-[4-(phenylcarbamoyl)anilino]cinnoline-3-carboxamide Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)N=NC(=C3NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)C(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N=NC(=C3NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C27H27N7O2/c1-33-13-15-34(16-14-33)21-11-12-23-22(17-21)24(25(26(28)35)32-31-23)29-20-9-7-18(8-10-20)27(36)30-19-5-3-2-4-6-19/h2-12,17H,13-16H2,1H3,(H2,28,35)(H,29,31)(H,30,36)