methyl 4-[[6-(3-cyclopentylpropanoylamino)-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-(3-cyclopentylpropanoylamino)-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[6-(3-cyclopentylpropanoylamino)-4-oxo-3H-phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[6-[(3-cyclopentyl-1-oxopropyl)amino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-(3-cyclopentylpropanoylamino)-4-oxo-3H-phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[[6-(3-cyclopentylpropanoylamino)-4-keto-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C3=C2C=CC(=C3)NC(=O)CCC4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=NNC(=O)C3=C2C=CC(=C3)NC(=O)CCC4CCCC4

InChI

InChI=1S/C25H27N3O4/c1-32-25(31)18-9-6-17(7-10-18)14-22-20-12-11-19(15-21(20)24(30)28-27-22)26-23(29)13-8-16-4-2-3-5-16/h6-7,9-12,15-16H,2-5,8,13-14H2,1H3,(H,26,29)(H,28,30)