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

Systemtic Name: 2-(4-methoxyphenyl)-3-oxidanylidene-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-3-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]isoindoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-3-oxo-N-[4-(1-pyrrolidinylmethyl)phenyl]-1H-isoindole-4-carboxamide IUPAC Name: 2-(4-methoxyphenyl)-3-oxo-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-isoindole-4-carboxamide Traditional Name: 3-keto-2-(4-methoxyphenyl)-N-[4-(pyrrolidinomethyl)phenyl]isoindoline-4-carboxamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC=C(C=C4)CN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC=C(C=C4)CN5CCCC5

InChI

InChI=1S/C27H27N3O3/c1-33-23-13-11-22(12-14-23)30-18-20-5-4-6-24(25(20)27(30)32)26(31)28-21-9-7-19(8-10-21)17-29-15-2-3-16-29/h4-14H,2-3,15-18H2,1H3,(H,28,31)