methyl 4-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: methyl 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[oxo(1-piperidinyl)methyl]anilino]-1-phthalazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(piperidine-1-carbonyl)anilino]phthalazin-1-yl]benzoic acid methyl ester Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5

InChI

InChI=1S/C28H26N4O3/c1-35-28(34)21-11-9-19(10-12-21)25-23-7-3-4-8-24(23)26(31-30-25)29-22-15-13-20(14-16-22)27(33)32-17-5-2-6-18-32/h3-4,7-16H,2,5-6,17-18H2,1H3,(H,29,31)