N-[[1-[4-[methyl(2-pyrrolidin-1-ylethanoyl)amino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide

Systemtic Name: N-[[1-[4-[methyl(2-pyrrolidin-1-ylethanoyl)amino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Openeye Name: N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxo-pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide CAS Name: N-[[1-[4-[methyl-[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]methyl]-6-isoquinolinecarboxamide IUPAC Name: N-[[1-[4-[methyl-(2-pyrrolidin-1-ylacetyl)amino]phenyl]-5-oxopyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Traditional Name: N-[[5-keto-1-[4-[methyl-(2-pyrrolidinoacetyl)amino]phenyl]pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)N2CC(CC2=O)CNC(=O)C3=CC4=C(C=C3)C=NC=C4)C(=O)CN5CCCC5

Isomeric SMILES

CN(C1=CC=C(C=C1)N2CC(CC2=O)CNC(=O)C3=CC4=C(C=C3)C=NC=C4)C(=O)CN5CCCC5

InChI

InChI=1S/C28H31N5O3/c1-31(27(35)19-32-12-2-3-13-32)24-6-8-25(9-7-24)33-18-20(14-26(33)34)16-30-28(36)22-4-5-23-17-29-11-10-21(23)15-22/h4-11,15,17,20H,2-3,12-14,16,18-19H2,1H3,(H,30,36)