(3S)-2-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-benzyl-4-oxo-phthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-benzyl-4-oxophthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-benzyl-4-keto-phthalazine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C26H22N4O3/c27-24(31)22-14-18-10-4-5-11-19(18)16-29(22)26(33)23-20-12-6-7-13-21(20)25(32)30(28-23)15-17-8-2-1-3-9-17/h1-13,22H,14-16H2,(H2,27,31)/t22-/m0/s1