3-methyl-1-(4-piperazin-1-ylphenyl)-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-one

Systemtic Name: 3-methyl-1-(4-piperazin-1-ylphenyl)-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-one Openeye Name: 3-methyl-1-(4-piperazin-1-ylphenyl)-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-2-one CAS Name: 3-methyl-1-[4-(1-piperazinyl)phenyl]-8-[2-(3-pyridinyl)ethynyl]-2-imidazo[4,5-c]quinolinone IUPAC Name: 3-methyl-1-(4-piperazin-1-ylphenyl)-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinolin-2-one Traditional Name: 3-methyl-1-(4-piperazinophenyl)-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinolin-2-one Formula: C28H24N6O MolecularWeight: 460.52976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC=C(C=C4)N5CCNCC5)C#CC6=CN=CC=C6

Isomeric SMILES

CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC=C(C=C4)N5CCNCC5)C#CC6=CN=CC=C6

InChI

InChI=1S/C28H24N6O/c1-32-26-19-31-25-11-6-20(4-5-21-3-2-12-30-18-21)17-24(25)27(26)34(28(32)35)23-9-7-22(8-10-23)33-15-13-29-14-16-33/h2-3,6-12,17-19,29H,13-16H2,1H3