4-[[9-cyclopentyl-7,7-bis(fluoranyl)-5-methyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide

Systemtic Name: 4-[[9-cyclopentyl-7,7-bis(fluoranyl)-5-methyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide Openeye Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methyl-4-piperidyl)-3-(trifluoromethyl)benzamide CAS Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methyl-4-piperidinyl)-3-(trifluoromethyl)benzamide IUPAC Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide Traditional Name: 4-[(9-cyclopentyl-7,7-difluoro-6-keto-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methyl-4-piperidyl)-3-(trifluoromethyl)benzamide Formula: C27H32F5N7O2 MolecularWeight: 581.580696

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)C(F)(F)F

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)C(F)(F)F

InChI

InChI=1S/C27H32F5N7O2/c1-37-11-9-17(10-12-37)34-23(40)16-7-8-20(19(13-16)27(30,31)32)35-25-33-14-21-22(36-25)39(18-5-3-4-6-18)15-26(28,29)24(41)38(21)2/h7-8,13-14,17-18H,3-6,9-12,15H2,1-2H3,(H,34,40)(H,33,35,36)