N-(1-cyanocyclohexyl)-3-cycloheptyl-2-[[1-(1-methylpiperidin-4-yl)-2-oxidanylidene-quinazolin-4-yl]amino]propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-3-cycloheptyl-2-[[1-(1-methylpiperidin-4-yl)-2-oxidanylidene-quinazolin-4-yl]amino]propanamide Openeye Name: N-(1-cyanocyclohexyl)-3-cycloheptyl-2-[[1-(1-methyl-4-piperidyl)-2-oxo-quinazolin-4-yl]amino]propanamide CAS Name: N-(1-cyanocyclohexyl)-3-cycloheptyl-2-[[1-(1-methyl-4-piperidinyl)-2-oxo-4-quinazolinyl]amino]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-3-cycloheptyl-2-[[1-(1-methylpiperidin-4-yl)-2-oxoquinazolin-4-yl]amino]propanamide Traditional Name: N-(1-cyanocyclohexyl)-3-cycloheptyl-2-[[2-keto-1-(1-methyl-4-piperidyl)quinazolin-4-yl]amino]propionamide Formula: C31H44N6O2 MolecularWeight: 532.72006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C3=CC=CC=C3C(=NC2=O)NC(CC4CCCCCC4)C(=O)NC5(CCCCC5)C#N

Isomeric SMILES

CN1CCC(CC1)N2C3=CC=CC=C3C(=NC2=O)NC(CC4CCCCCC4)C(=O)NC5(CCCCC5)C#N

InChI

InChI=1S/C31H44N6O2/c1-36-19-15-24(16-20-36)37-27-14-8-7-13-25(27)28(34-30(37)39)33-26(21-23-11-5-2-3-6-12-23)29(38)35-31(22-32)17-9-4-10-18-31/h7-8,13-14,23-24,26H,2-6,9-12,15-21H2,1H3,(H,35,38)(H,33,34,39)