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

Systemtic Name: ethyl 4-[4-[(4-piperidin-1-ylcarbonylphenyl)amino]phthalazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O3/c1-2-36-29(35)22-12-10-20(11-13-22)26-24-8-4-5-9-25(24)27(32-31-26)30-23-16-14-21(15-17-23)28(34)33-18-6-3-7-19-33/h4-5,8-17H,2-3,6-7,18-19H2,1H3,(H,30,32)