2-butyl-4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidine-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidine-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidine-1-carbonyl]phthalazin-1-one Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H32N4O3/c1-2-3-15-32-27(34)24-11-7-6-10-23(24)25(29-32)28(35)30-16-13-21(14-17-30)26(33)31-18-12-20-8-4-5-9-22(20)19-31/h4-11,21H,2-3,12-19H2,1H3