N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-2-isoquinolyl]ethyl]pyridine-3-carboxamide CAS Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-2-isoquinolinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenylisoquinolin-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: N-[2-[3-(dimethylaminomethyl)-1-keto-6-methoxy-4-phenyl-2-isoquinolyl]ethyl]nicotinamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=C(C=CC(=C2)OC)C(=O)N1CCNC(=O)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CC1=C(C2=C(C=CC(=C2)OC)C(=O)N1CCNC(=O)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3/c1-30(2)18-24-25(19-8-5-4-6-9-19)23-16-21(34-3)11-12-22(23)27(33)31(24)15-14-29-26(32)20-10-7-13-28-17-20/h4-13,16-17H,14-15,18H2,1-3H3,(H,29,32)