4-[[9-cyclopentyl-7,7-bis(fluoranyl)-5-methyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methyl-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-methyl-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-methyl-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-methyl-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-methyl-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-methyl-N-(1-methyl-4-piperidyl)benzamide Formula: C27H35F2N7O2 MolecularWeight: 527.609306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCN(CC2)C)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCN(CC2)C)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5

InChI

InChI=1S/C27H35F2N7O2/c1-17-14-18(24(37)31-19-10-12-34(2)13-11-19)8-9-21(17)32-26-30-15-22-23(33-26)36(20-6-4-5-7-20)16-27(28,29)25(38)35(22)3/h8-9,14-15,19-20H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)