3-[2-azanyl-4-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[2-azanyl-4-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[2-amino-4-(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[2-amino-4-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[2-amino-4-(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[2-amino-4-(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=C(C=C(C=C2)C(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5)N

Isomeric SMILES

CC1CC(=O)NN=C1C2=C(C=C(C=C2)C(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C28H26N4O3/c1-17-13-25(33)30-31-26(17)22-12-11-20(14-23(22)29)27(34)24-15-19-9-5-6-10-21(19)16-32(24)28(35)18-7-3-2-4-8-18/h2-12,14,17,24H,13,15-16,29H2,1H3,(H,30,33)