1-methyl-3-[6-[4-(2-oxidanylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]carbonyl-indole-6-carbonitrile

Systemtic Name: 1-methyl-3-[6-[4-(2-oxidanylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]carbonyl-indole-6-carbonitrile Openeye Name: 1-methyl-3-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-piperidyl]pyrimidine-4-carbonyl]indole-6-carbonitrile CAS Name: 1-methyl-3-[oxo-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinyl]-4-pyrimidinyl]methyl]-6-indolecarbonitrile IUPAC Name: 1-methyl-3-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidine-4-carbonyl]indole-6-carbonitrile Traditional Name: 3-[6-[4-(2-keto-3H-imidazo[4,5-b]pyridin-1-yl)piperidino]pyrimidine-4-carbonyl]-1-methyl-indole-6-carbonitrile Formula: C26H22N8O2 MolecularWeight: 478.50528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C#N)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C#N)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6

InChI

InChI=1S/C26H22N8O2/c1-32-14-19(18-5-4-16(13-27)11-22(18)32)24(35)20-12-23(30-15-29-20)33-9-6-17(7-10-33)34-21-3-2-8-28-25(21)31-26(34)36/h2-5,8,11-12,14-15,17H,6-7,9-10H2,1H3,(H,28,31,36)