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

Systemtic Name: 3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]-2-propyl-3H-isoindol-1-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-propyl-isoindolin-1-one CAS Name: 3-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]anilino]-2-propyl-3H-isoindol-1-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-propyl-3H-isoindol-1-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-propyl-isoindolin-1-one Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H27N3O2/c1-2-15-30-25(23-12-5-6-13-24(23)27(30)32)28-22-11-7-10-20(17-22)26(31)29-16-14-19-8-3-4-9-21(19)18-29/h3-13,17,25,28H,2,14-16,18H2,1H3