1-[4-[(4-chlorophenyl)amino]phthalazin-1-yl]-16-pyridin-4-yl-hexadecan-2-one

Systemtic Name: 1-[4-[(4-chlorophenyl)amino]phthalazin-1-yl]-16-pyridin-4-yl-hexadecan-2-one Openeye Name: 1-[4-(4-chloroanilino)phthalazin-1-yl]-16-(4-pyridyl)hexadecan-2-one CAS Name: 1-[4-(4-chloroanilino)-1-phthalazinyl]-16-pyridin-4-yl-2-hexadecanone IUPAC Name: 1-[4-(4-chloroanilino)phthalazin-1-yl]-16-pyridin-4-ylhexadecan-2-one Traditional Name: 1-[4-(4-chloroanilino)phthalazin-1-yl]-16-(4-pyridyl)hexadecan-2-one Formula: C35H43ClN4O MolecularWeight: 571.19512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC(=O)CCCCCCCCCCCCCCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC(=O)CCCCCCCCCCCCCCC4=CC=NC=C4

InChI

InChI=1S/C35H43ClN4O/c36-29-19-21-30(22-20-29)38-35-33-18-14-13-17-32(33)34(39-40-35)27-31(41)16-12-10-8-6-4-2-1-3-5-7-9-11-15-28-23-25-37-26-24-28/h13-14,17-26H,1-12,15-16,27H2,(H,38,40)