N-(3-chloranyl-4-methoxy-phenyl)-3-(1-isoquinolin-3-ylcarbonylpiperidin-3-yl)propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(1-isoquinolin-3-ylcarbonylpiperidin-3-yl)propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[1-(isoquinoline-3-carbonyl)-3-piperidyl]propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[1-[3-isoquinolinyl(oxo)methyl]-3-piperidinyl]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-[1-(isoquinoline-3-carbonyl)piperidin-3-yl]propanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[1-(isoquinoline-3-carbonyl)-3-piperidyl]propionamide Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2CCCN(C2)C(=O)C3=CC4=CC=CC=C4C=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCC2CCCN(C2)C(=O)C3=CC4=CC=CC=C4C=N3)Cl

InChI

InChI=1S/C25H26ClN3O3/c1-32-23-10-9-20(14-21(23)26)28-24(30)11-8-17-5-4-12-29(16-17)25(31)22-13-18-6-2-3-7-19(18)15-27-22/h2-3,6-7,9-10,13-15,17H,4-5,8,11-12,16H2,1H3,(H,28,30)