1-[(4-methoxyphenyl)amino]-N-(3-pyrrolidin-1-ylpropyl)isoquinoline-4-carboxamide

Systemtic Name: 1-[(4-methoxyphenyl)amino]-N-(3-pyrrolidin-1-ylpropyl)isoquinoline-4-carboxamide Openeye Name: 1-(4-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)isoquinoline-4-carboxamide CAS Name: 1-(4-methoxyanilino)-N-[3-(1-pyrrolidinyl)propyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(4-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)isoquinoline-4-carboxamide Traditional Name: 1-(p-anisidino)-N-(3-pyrrolidinopropyl)isoquinoline-4-carboxamide Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCCCN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)NCCCN4CCCC4

InChI

InChI=1S/C24H28N4O2/c1-30-19-11-9-18(10-12-19)27-23-21-8-3-2-7-20(21)22(17-26-23)24(29)25-13-6-16-28-14-4-5-15-28/h2-3,7-12,17H,4-6,13-16H2,1H3,(H,25,29)(H,26,27)