8-(2,6-dimethylphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]quinoxaline-5-carboxamide

Systemtic Name: 8-(2,6-dimethylphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]quinoxaline-5-carboxamide Openeye Name: 8-(2,6-dimethylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]quinoxaline-5-carboxamide CAS Name: 8-(2,6-dimethylphenyl)-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-5-quinoxalinecarboxamide IUPAC Name: 8-(2,6-dimethylphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]quinoxaline-5-carboxamide Traditional Name: 8-(2,6-dimethylphenyl)-N-[6-(4-methylpiperazino)-3-pyridyl]quinoxaline-5-carboxamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C3C(=C(C=C2)C(=O)NC4=CN=C(C=C4)N5CCN(CC5)C)N=CC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C3C(=C(C=C2)C(=O)NC4=CN=C(C=C4)N5CCN(CC5)C)N=CC=N3

InChI

InChI=1S/C27H28N6O/c1-18-5-4-6-19(2)24(18)21-8-9-22(26-25(21)28-11-12-29-26)27(34)31-20-7-10-23(30-17-20)33-15-13-32(3)14-16-33/h4-12,17H,13-16H2,1-3H3,(H,31,34)