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

Systemtic Name: propyl 4-[4-[[4-(dimethylcarbamoyl)phenyl]amino]phthalazin-1-yl]benzoate Openeye Name: propyl 4-[4-[4-(dimethylcarbamoyl)anilino]phthalazin-1-yl]benzoate CAS Name: 4-[4-[4-[dimethylamino(oxo)methyl]anilino]-1-phthalazinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[4-[4-(dimethylcarbamoyl)anilino]phthalazin-1-yl]benzoate Traditional Name: 4-[4-[4-(dimethylcarbamoyl)anilino]phthalazin-1-yl]benzoic acid propyl ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3/c1-4-17-34-27(33)20-11-9-18(10-12-20)24-22-7-5-6-8-23(22)25(30-29-24)28-21-15-13-19(14-16-21)26(32)31(2)3/h5-16H,4,17H2,1-3H3,(H,28,30)