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

Systemtic Name: 4-[(9-cyclopentyl-5-methyl-6-oxidanylidene-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-methylpiperidin-4-yl)-3-oxidanyl-benzamide Openeye Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-hydroxy-N-(1-methyl-4-piperidyl)benzamide CAS Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-hydroxy-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 4-[(9-cyclopentyl-6-keto-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-hydroxy-N-(1-methyl-4-piperidyl)benzamide Formula: C26H35N7O3 MolecularWeight: 493.6012

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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)C5CCCC5)O

Isomeric SMILES

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

InChI

InChI=1S/C26H35N7O3/c1-31-12-9-18(10-13-31)28-25(36)17-7-8-20(22(34)15-17)29-26-27-16-21-24(30-26)33(19-5-3-4-6-19)14-11-23(35)32(21)2/h7-8,15-16,18-19,34H,3-6,9-14H2,1-2H3,(H,28,36)(H,27,29,30)