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

Systemtic Name: 4-[[(7S)-9-cyclopentyl-7-ethenyl-7-fluoranyl-5-methyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 4-[[(7S)-9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide CAS Name: 4-[[(7S)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 4-[[(7S)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 4-[[(7S)-9-cyclopentyl-7-fluoro-6-keto-5-methyl-7-vinyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide Formula: C29H38FN7O3 MolecularWeight: 551.655523

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(C=C)F)C5CCCC5)OC

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C[C@](C(=O)N4C)(C=C)F)C5CCCC5)OC

InChI

InChI=1S/C29H38FN7O3/c1-5-29(30)18-37(21-8-6-7-9-21)25-23(36(3)27(29)39)17-31-28(34-25)33-22-11-10-19(16-24(22)40-4)26(38)32-20-12-14-35(2)15-13-20/h5,10-11,16-17,20-21H,1,6-9,12-15,18H2,2-4H3,(H,32,38)(H,31,33,34)/t29-/m0/s1