1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-2-carboxamide

Systemtic Name: 1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-2-carboxamide Openeye Name: 1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-2-carboxamide CAS Name: 1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-azepanecarboxamide IUPAC Name: 1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-2-carboxamide Traditional Name: 1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-homoveratryl-azepane-2-carboxamide Formula: C24H29ClN6O3 MolecularWeight: 484.97846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCCCN2C3=CC(=NC(=N3)N4C=CN=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCCCN2C3=CC(=NC(=N3)N4C=CN=C4)Cl)OC

InChI

InChI=1S/C24H29ClN6O3/c1-33-19-8-7-17(14-20(19)34-2)9-10-27-23(32)18-6-4-3-5-12-31(18)22-15-21(25)28-24(29-22)30-13-11-26-16-30/h7-8,11,13-16,18H,3-6,9-10,12H2,1-2H3,(H,27,32)