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

Systemtic Name: 2-methyl-1-(4-piperazin-1-ylphenyl)-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinoline Openeye Name: 2-methyl-1-(4-piperazin-1-ylphenyl)-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinoline CAS Name: 2-methyl-1-[4-(1-piperazinyl)phenyl]-8-[2-(3-pyridinyl)ethynyl]imidazo[4,5-c]quinoline IUPAC Name: 2-methyl-1-(4-piperazin-1-ylphenyl)-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinoline Traditional Name: 2-methyl-1-(4-piperazinophenyl)-8-[2-(3-pyridyl)ethynyl]imidazo[4,5-c]quinoline Formula: C28H24N6 MolecularWeight: 444.53036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=C(C=C4)N5CCNCC5)C#CC6=CN=CC=C6

Isomeric SMILES

CC1=NC2=CN=C3C=CC(=CC3=C2N1C4=CC=C(C=C4)N5CCNCC5)C#CC6=CN=CC=C6

InChI

InChI=1S/C28H24N6/c1-20-32-27-19-31-26-11-6-21(4-5-22-3-2-12-30-18-22)17-25(26)28(27)34(20)24-9-7-23(8-10-24)33-15-13-29-14-16-33/h2-3,6-12,17-19,29H,13-16H2,1H3