3-[1-[6-(6-fluoranyl-1-methyl-indol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepine-7-carbonitrile

Systemtic Name: 3-[1-[6-(6-fluoranyl-1-methyl-indol-3-yl)carbonylpyrimidin-4-yl]piperidin-4-yl]-2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepine-7-carbonitrile Openeye Name: 3-[1-[6-(6-fluoro-1-methyl-indole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-2-oxo-4,5-dihydro-1H-1,3-benzodiazepine-7-carbonitrile CAS Name: 3-[1-[6-[(6-fluoro-1-methyl-3-indolyl)-oxomethyl]-4-pyrimidinyl]-4-piperidinyl]-2-oxo-4,5-dihydro-1H-1,3-benzodiazepine-7-carbonitrile IUPAC Name: 3-[1-[6-(6-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-2-oxo-4,5-dihydro-1H-1,3-benzodiazepine-7-carbonitrile Traditional Name: 3-[1-[6-(6-fluoro-1-methyl-indole-3-carbonyl)pyrimidin-4-yl]-4-piperidyl]-2-keto-4,5-dihydro-1H-1,3-benzodiazepine-7-carbonitrile Formula: C29H26FN7O2 MolecularWeight: 523.560843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)F)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5CCC6=C(C=CC(=C6)C#N)NC5=O

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)F)C(=O)C3=CC(=NC=N3)N4CCC(CC4)N5CCC6=C(C=CC(=C6)C#N)NC5=O

InChI

InChI=1S/C29H26FN7O2/c1-35-16-23(22-4-3-20(30)13-26(22)35)28(38)25-14-27(33-17-32-25)36-9-7-21(8-10-36)37-11-6-19-12-18(15-31)2-5-24(19)34-29(37)39/h2-5,12-14,16-17,21H,6-11H2,1H3,(H,34,39)