9-cyclopentyl-2-[(2-methoxy-4-piperazin-1-ylcarbonyl-phenyl)amino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one

Systemtic Name: 9-cyclopentyl-2-[(2-methoxy-4-piperazin-1-ylcarbonyl-phenyl)amino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one Openeye Name: 9-cyclopentyl-2-[2-methoxy-4-(piperazine-1-carbonyl)anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one CAS Name: 9-cyclopentyl-2-[2-methoxy-4-[oxo(1-piperazinyl)methyl]anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one IUPAC Name: 9-cyclopentyl-2-[2-methoxy-4-(piperazine-1-carbonyl)anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one Traditional Name: 9-cyclopentyl-2-[2-methoxy-4-(piperazine-1-carbonyl)anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one Formula: C25H33N7O3 MolecularWeight: 479.57462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCN(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)N4CCNCC4)OC)C5CCCC5

Isomeric SMILES

CN1C(=O)CCN(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)N4CCNCC4)OC)C5CCCC5

InChI

InChI=1S/C25H33N7O3/c1-30-20-16-27-25(29-23(20)32(12-9-22(30)33)18-5-3-4-6-18)28-19-8-7-17(15-21(19)35-2)24(34)31-13-10-26-11-14-31/h7-8,15-16,18,26H,3-6,9-14H2,1-2H3,(H,27,28,29)