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

Systemtic Name: 3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]-2-(3-methoxypropyl)-3H-isoindol-1-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-(3-methoxypropyl)isoindolin-1-one CAS Name: 3-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-(3-methoxypropyl)-3H-isoindol-1-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-(3-methoxypropyl)isoindolin-1-one Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COCCCN1C(C2=CC=CC=C2C1=O)NC3=CC=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H29N3O3/c1-34-17-7-15-31-26(24-12-4-5-13-25(24)28(31)33)29-23-11-6-10-21(18-23)27(32)30-16-14-20-8-2-3-9-22(20)19-30/h2-6,8-13,18,26,29H,7,14-17,19H2,1H3