2-[2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)ethyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)ethyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(5-chloro-2-oxo-1-pyridyl)ethyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-(5-chloro-2-oxo-1-pyridinyl)ethyl]-N-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(5-chloro-2-oxopyridin-1-yl)ethyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(5-chloro-2-keto-1-pyridyl)ethyl]-N-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H31ClN6O3 MolecularWeight: 571.06924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CC(N(C2)CCN3C=C(C=CC3=O)Cl)C(=O)NCCC4=CN=CN4CC5=CC=C(C=C5)C#N)C=C1

Isomeric SMILES

COC1=CC2=C(CC(N(C2)CCN3C=C(C=CC3=O)Cl)C(=O)NCCC4=CN=CN4CC5=CC=C(C=C5)C#N)C=C1

InChI

InChI=1S/C31H31ClN6O3/c1-41-28-8-6-24-15-29(36(19-25(24)14-28)12-13-37-20-26(32)7-9-30(37)39)31(40)35-11-10-27-17-34-21-38(27)18-23-4-2-22(16-33)3-5-23/h2-9,14,17,20-21,29H,10-13,15,18-19H2,1H3,(H,35,40)