propyl 4-[4-[[4-(diethylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate

Systemtic Name: propyl 4-[4-[[4-(diethylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[diethylamino(oxo)methyl]anilino]-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(diethylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid propyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N(CC)CC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N(CC)CC

InChI

InChI=1S/C29H30N4O3/c1-4-19-36-29(35)22-13-11-20(12-14-22)26-24-9-7-8-10-25(24)27(32-31-26)30-23-17-15-21(16-18-23)28(34)33(5-2)6-3/h7-18H,4-6,19H2,1-3H3,(H,30,32)