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

Systemtic Name: N-[4-[(3-chlorophenyl)amino]-1-(pyridin-4-ylmethyl)phthalazin-6-yl]ethanamide Openeye Name: N-[4-(3-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]acetamide CAS Name: N-[4-(3-chloroanilino)-1-(pyridin-4-ylmethyl)-6-phthalazinyl]acetamide IUPAC Name: N-[4-(3-chloroanilino)-1-(pyridin-4-ylmethyl)phthalazin-6-yl]acetamide Traditional Name: N-[4-(3-chloroanilino)-1-(4-pyridylmethyl)phthalazin-6-yl]acetamide Formula: C22H18ClN5O MolecularWeight: 403.86422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=NN=C2NC3=CC(=CC=C3)Cl)CC4=CC=NC=C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=NN=C2NC3=CC(=CC=C3)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C22H18ClN5O/c1-14(29)25-18-5-6-19-20(13-18)22(26-17-4-2-3-16(23)12-17)28-27-21(19)11-15-7-9-24-10-8-15/h2-10,12-13H,11H2,1H3,(H,25,29)(H,26,28)