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

Systemtic Name: 2-methyl-7-oxidanyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Openeye Name: 7-hydroxy-2-methyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide CAS Name: 7-hydroxy-2-methyl-N-phenyl-1-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoquinoline-4-carboxamide IUPAC Name: 7-hydroxy-2-methyl-N-phenyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoquinoline-4-carboxamide Traditional Name: 7-hydroxy-2-methyl-N-phenyl-1-[4-(pyrrolidinomethyl)phenyl]-1H-isoquinoline-4-carboxamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C(C1C3=CC=C(C=C3)CN4CCCC4)C=C(C=C2)O)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C2=C(C1C3=CC=C(C=C3)CN4CCCC4)C=C(C=C2)O)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2/c1-30-19-26(28(33)29-22-7-3-2-4-8-22)24-14-13-23(32)17-25(24)27(30)21-11-9-20(10-12-21)18-31-15-5-6-16-31/h2-4,7-14,17,19,27,32H,5-6,15-16,18H2,1H3,(H,29,33)