4-[(9-cyclopentyl-7-ethyl-5,7-dimethyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethylpiperidin-4-yl)-3-methoxy-benzamide

Systemtic Name: 4-[(9-cyclopentyl-7-ethyl-5,7-dimethyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethylpiperidin-4-yl)-3-methoxy-benzamide Openeye Name: 4-[(9-cyclopentyl-7-ethyl-5,7-dimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethyl-4-piperidyl)-3-methoxy-benzamide CAS Name: 4-[(9-cyclopentyl-7-ethyl-5,7-dimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethyl-4-piperidinyl)-3-methoxybenzamide IUPAC Name: 4-[(9-cyclopentyl-7-ethyl-5,7-dimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethylpiperidin-4-yl)-3-methoxybenzamide Traditional Name: 4-[(9-cyclopentyl-7-ethyl-6-keto-5,7-dimethyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N-(1-ethyl-4-piperidyl)-3-methoxy-benzamide Formula: C31H45N7O3 MolecularWeight: 563.7341

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC)OC)C5CCCC5)C

Isomeric SMILES

CCC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)C(=O)NC4CCN(CC4)CC)OC)C5CCCC5)C

InChI

InChI=1S/C31H45N7O3/c1-6-31(3)20-38(23-10-8-9-11-23)27-25(36(4)29(31)40)19-32-30(35-27)34-24-13-12-21(18-26(24)41-5)28(39)33-22-14-16-37(7-2)17-15-22/h12-13,18-19,22-23H,6-11,14-17,20H2,1-5H3,(H,33,39)(H,32,34,35)