1-oxidanylidene-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2H-isoquinoline-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2H-isoquinoline-3-carboxamide Openeye Name: 1-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2H-isoquinoline-3-carboxamide CAS Name: 1-oxo-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-2H-isoquinoline-3-carboxamide IUPAC Name: 1-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-[4-(pyrrolidinomethyl)benzyl]-2H-isoquinoline-3-carboxamide Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H23N3O2/c26-21-19-6-2-1-5-18(19)13-20(24-21)22(27)23-14-16-7-9-17(10-8-16)15-25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12,14-15H2,(H,23,27)(H,24,26)