3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]-2-(2-methoxyethyl)-3H-isoindol-1-one

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]-2-(2-methoxyethyl)-3H-isoindol-1-one Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-(2-methoxyethyl)isoindolin-1-one CAS Name: 3-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]anilino]-2-(2-methoxyethyl)-3H-isoindol-1-one IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-(2-methoxyethyl)-3H-isoindol-1-one Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-(2-methoxyethyl)isoindolin-1-one Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COCCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O3/c1-33-17-16-30-25(23-8-4-5-9-24(23)27(30)32)28-22-12-10-20(11-13-22)26(31)29-15-14-19-6-2-3-7-21(19)18-29/h2-13,25,28H,14-18H2,1H3