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

Systemtic Name: N-(azepan-4-yl)-4-[[9-cyclopentyl-7,7-bis(fluoranyl)-5-methyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-benzamide Openeye Name: N-(azepan-4-yl)-4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-benzamide CAS Name: N-(4-azepanyl)-4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide IUPAC Name: N-(azepan-4-yl)-4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzamide Traditional Name: N-(azepan-4-yl)-4-[(9-cyclopentyl-7,7-difluoro-6-keto-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-benzamide Formula: C27H35F2N7O3 MolecularWeight: 543.608706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C(N=C2N(CC(C1=O)(F)F)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCCNCC5)OC

Isomeric SMILES

CN1C2=CN=C(N=C2N(CC(C1=O)(F)F)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCCNCC5)OC

InChI

InChI=1S/C27H35F2N7O3/c1-35-21-15-31-26(34-23(21)36(19-7-3-4-8-19)16-27(28,29)25(35)38)33-20-10-9-17(14-22(20)39-2)24(37)32-18-6-5-12-30-13-11-18/h9-10,14-15,18-19,30H,3-8,11-13,16H2,1-2H3,(H,32,37)(H,31,33,34)