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

Systemtic Name: 4-[(3S)-3-[methyl-(phenylmethyl)amino]piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[(3S)-3-[benzyl(methyl)amino]piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[(3S)-3-[methyl-(phenylmethyl)amino]-1-piperidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[(3S)-3-[benzyl(methyl)amino]piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(3S)-3-[benzyl(methyl)amino]piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O2/c1-25(14-16-8-3-2-4-9-16)17-10-7-13-26(15-17)22(28)20-18-11-5-6-12-19(18)21(27)24-23-20/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,24,27)/t17-/m0/s1