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

Systemtic Name: 4-[[(7R)-9-cyclopentyl-7-ethenyl-7-fluoranyl-5-methyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methoxy-benzamide Openeye Name: 4-[[(7R)-9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-[1-(2-hydroxyethyl)-4-piperidyl]-3-methoxy-benzamide CAS Name: 4-[[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-[1-(2-hydroxyethyl)-4-piperidinyl]-3-methoxybenzamide IUPAC Name: 4-[[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methoxybenzamide Traditional Name: 4-[[(7R)-9-cyclopentyl-7-fluoro-6-keto-5-methyl-7-vinyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-[1-(2-hydroxyethyl)-4-piperidyl]-3-methoxy-benzamide Formula: C30H40FN7O4 MolecularWeight: 581.681503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN=C(N=C2N(CC(C1=O)(C=C)F)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)CCO)OC

Isomeric SMILES

CN1C2=CN=C(N=C2N(C[C@@](C1=O)(C=C)F)C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)CCO)OC

InChI

InChI=1S/C30H40FN7O4/c1-4-30(31)19-38(22-7-5-6-8-22)26-24(36(2)28(30)41)18-32-29(35-26)34-23-10-9-20(17-25(23)42-3)27(40)33-21-11-13-37(14-12-21)15-16-39/h4,9-10,17-18,21-22,39H,1,5-8,11-16,19H2,2-3H3,(H,33,40)(H,32,34,35)/t30-/m1/s1