4-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[(3S)-3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[(3S)-3-(3,4-dimethoxyanilino)piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[(3S)-3-(3,4-dimethoxyanilino)-1-piperidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[(3S)-3-(3,4-dimethoxyanilino)piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(3S)-3-(3,4-dimethoxyanilino)piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43)OC

InChI

InChI=1S/C22H24N4O4/c1-29-18-10-9-14(12-19(18)30-2)23-15-6-5-11-26(13-15)22(28)20-16-7-3-4-8-17(16)21(27)25-24-20/h3-4,7-10,12,15,23H,5-6,11,13H2,1-2H3,(H,25,27)/t15-/m0/s1