4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-pentyl-phthalazin-1-one

Systemtic Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-2-pentyl-phthalazin-1-one Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pentyl-phthalazin-1-one CAS Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phthalazin-1-one Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C25H29N3O4/c1-4-5-8-12-28-24(29)20-10-7-6-9-19(20)23(26-28)25(30)27-13-11-17-14-21(31-2)22(32-3)15-18(17)16-27/h6-7,9-10,14-15H,4-5,8,11-13,16H2,1-3H3