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

Systemtic Name: N-[4-[(4-chlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]-3-nitro-benzamide Openeye Name: N-[4-(4-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]-3-nitro-benzamide CAS Name: N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)-6-phthalazinyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]-3-nitro-benzamide Formula: C27H19ClN6O3 MolecularWeight: 510.93116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H19ClN6O3/c28-19-4-6-20(7-5-19)30-26-24-16-21(31-27(35)18-2-1-3-22(15-18)34(36)37)8-9-23(24)25(32-33-26)14-17-10-12-29-13-11-17/h1-13,15-16H,14H2,(H,30,33)(H,31,35)