[4-[(4-chlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]carbamoyl benzoate

Systemtic Name: [4-[(4-chlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]carbamoyl benzoate Openeye Name: [4-(4-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]carbamoyl benzoate CAS Name: benzoic acid [[[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)-6-phthalazinyl]amino]-oxomethyl] ester IUPAC Name: [4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]carbamoyl benzoate Traditional Name: benzoic acid [4-(4-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]carbamoyl ester Formula: C28H20ClN5O3 MolecularWeight: 509.9431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(=O)NC2=CC3=C(C=C2)C(=NN=C3NC4=CC=C(C=C4)Cl)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(=O)NC2=CC3=C(C=C2)C(=NN=C3NC4=CC=C(C=C4)Cl)CC5=CC=NC=C5

InChI

InChI=1S/C28H20ClN5O3/c29-20-6-8-21(9-7-20)31-26-24-17-22(32-28(36)37-27(35)19-4-2-1-3-5-19)10-11-23(24)25(33-34-26)16-18-12-14-30-15-13-18/h1-15,17H,16H2,(H,31,34)(H,32,36)