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

Systemtic Name: 4-[(9-cyclopentyl-5-ethyl-6-oxidanylidene-8-phenyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 4-[(9-cyclopentyl-5-ethyl-6-oxo-8-phenyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide CAS Name: 4-[(9-cyclopentyl-5-ethyl-6-oxo-8-phenyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 4-[(9-cyclopentyl-5-ethyl-6-oxo-8-phenyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 4-[(9-cyclopentyl-5-ethyl-6-keto-8-phenyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide Formula: C34H43N7O3 MolecularWeight: 597.75032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(N(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)NC4CCN(CC4)C)OC)C5CCCC5)C6=CC=CC=C6

Isomeric SMILES

CCN1C(=O)CC(N(C2=NC(=NC=C21)NC3=C(C=C(C=C3)C(=O)NC4CCN(CC4)C)OC)C5CCCC5)C6=CC=CC=C6

InChI

InChI=1S/C34H43N7O3/c1-4-40-29-22-35-34(37-27-15-14-24(20-30(27)44-3)33(43)36-25-16-18-39(2)19-17-25)38-32(29)41(26-12-8-9-13-26)28(21-31(40)42)23-10-6-5-7-11-23/h5-7,10-11,14-15,20,22,25-26,28H,4,8-9,12-13,16-19,21H2,1-3H3,(H,36,43)(H,35,37,38)