3-methoxy-4-[[5-methyl-9-(4-oxidanylcyclohexyl)-6-oxidanylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

Systemtic Name: 3-methoxy-4-[[5-methyl-9-(4-oxidanylcyclohexyl)-6-oxidanylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 4-[[9-(4-hydroxycyclohexyl)-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide CAS Name: 4-[[9-(4-hydroxycyclohexyl)-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 4-[[9-(4-hydroxycyclohexyl)-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 4-[[9-(4-hydroxycyclohexyl)-6-keto-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide Formula: C28H39N7O4 MolecularWeight: 537.65376

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCC(CC5)O)OC

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CCC(=O)N4C)C5CCC(CC5)O)OC

InChI

InChI=1S/C28H39N7O4/c1-33-13-10-19(11-14-33)30-27(38)18-4-9-22(24(16-18)39-3)31-28-29-17-23-26(32-28)35(15-12-25(37)34(23)2)20-5-7-21(36)8-6-20/h4,9,16-17,19-21,36H,5-8,10-15H2,1-3H3,(H,30,38)(H,29,31,32)