7-methoxy-2-methyl-6-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide

Systemtic Name: 7-methoxy-2-methyl-6-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: 6-hydroxy-7-methoxy-2-methyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: 6-hydroxy-7-methoxy-2-methyl-N-phenyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 6-hydroxy-7-methoxy-2-methyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: 6-hydroxy-7-methoxy-2-methyl-N-phenyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC(=C(C=C2C1C3=CC=C(C=C3)CN4CCCC4)OC)O)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C2=CC(=C(C=C2C1C3=CC=C(C=C3)CN4CCCC4)OC)O)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-31-19-25(29(34)30-22-8-4-3-5-9-22)23-16-26(33)27(35-2)17-24(23)28(31)21-12-10-20(11-13-21)18-32-14-6-7-15-32/h3-5,8-13,16-17,19,28,33H,6-7,14-15,18H2,1-2H3,(H,30,34)