3-azanyl-N-[4-[(4-chlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]benzamide

Systemtic Name: 3-azanyl-N-[4-[(4-chlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]benzamide Openeye Name: 3-amino-N-[4-(4-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]benzamide CAS Name: 3-amino-N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)-6-phthalazinyl]benzamide IUPAC Name: 3-amino-N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]benzamide Traditional Name: 3-amino-N-[4-(4-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]benzamide Formula: C27H21ClN6O MolecularWeight: 480.94824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN6O/c28-19-4-6-21(7-5-19)31-26-24-16-22(32-27(35)18-2-1-3-20(29)15-18)8-9-23(24)25(33-34-26)14-17-10-12-30-13-11-17/h1-13,15-16H,14,29H2,(H,31,34)(H,32,35)