4-[[9-cyclopentyl-7,7-bis(fluoranyl)-5-methyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-ethyl-N-(1-methylpiperidin-4-yl)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]-3-ethyl-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-ethyl-N-(1-methyl-4-piperidyl)benzamide CAS Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-ethyl-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-ethyl-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 4-[(9-cyclopentyl-7,7-difluoro-6-keto-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-ethyl-N-(1-methyl-4-piperidyl)benzamide Formula: C28H37F2N7O2 MolecularWeight: 541.635886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)NC2CCN(CC2)C)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)NC2CCN(CC2)C)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5

InChI

InChI=1S/C28H37F2N7O2/c1-4-18-15-19(25(38)32-20-11-13-35(2)14-12-20)9-10-22(18)33-27-31-16-23-24(34-27)37(21-7-5-6-8-21)17-28(29,30)26(39)36(23)3/h9-10,15-16,20-21H,4-8,11-14,17H2,1-3H3,(H,32,38)(H,31,33,34)