4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[(3R)-3-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidine-1-carbonyl]-2H-phthalazin-1-one Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N4O4/c26-20-16-6-2-1-5-15(16)19(23-24-20)21(27)25-9-3-4-14(11-25)22-13-7-8-17-18(10-13)29-12-28-17/h1-2,5-8,10,14,22H,3-4,9,11-12H2,(H,24,26)/t14-/m1/s1