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-[(3S)-piperidin-3-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-[(3S)-piperidin-3-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-[(3S)-3-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-[(3S)-3-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-[(3S)-piperidin-3-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-methoxy-N-[(3S)-3-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)NC5CCCNC5)OC

Isomeric SMILES

CN1C2=CN=C(N=C2N(CC(C1=O)(F)F)C3CCCC3)NC4=C(C=C(C=C4)C(=O)N[C@H]5CCCNC5)OC

InChI

InChI=1S/C26H33F2N7O3/c1-34-20-14-30-25(33-22(20)35(18-7-3-4-8-18)15-26(27,28)24(34)37)32-19-10-9-16(12-21(19)38-2)23(36)31-17-6-5-11-29-13-17/h9-10,12,14,17-18,29H,3-8,11,13,15H2,1-2H3,(H,31,36)(H,30,32,33)/t17-/m0/s1