4-[[9-cyclopentyl-7,7-bis(fluoranyl)-5-methyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-piperidin-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-methoxy-N-piperidin-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-methoxy-N-(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-methoxy-N-(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-methoxy-N-piperidin-4-ylbenzamide Traditional Name: 4-[(9-cyclopentyl-7,7-difluoro-6-keto-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(4-piperidyl)benzamide Formula: C26H33F2N7O3 MolecularWeight: 529.582126

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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)NC5CCNCC5)OC

Isomeric SMILES

CN1C2=CN=C(N=C2N(CC(C1=O)(F)F)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCNCC5)OC

InChI

InChI=1S/C26H33F2N7O3/c1-34-20-14-30-25(33-22(20)35(18-5-3-4-6-18)15-26(27,28)24(34)37)32-19-8-7-16(13-21(19)38-2)23(36)31-17-9-11-29-12-10-17/h7-8,13-14,17-18,29H,3-6,9-12,15H2,1-2H3,(H,31,36)(H,30,32,33)