N-[1-[(4-chlorophenyl)amino]-4-(pyridin-4-ylmethyl)isoquinolin-7-yl]ethanamide

Systemtic Name: N-[1-[(4-chlorophenyl)amino]-4-(pyridin-4-ylmethyl)isoquinolin-7-yl]ethanamide Openeye Name: N-[1-(4-chloroanilino)-4-(4-pyridylmethyl)-7-isoquinolyl]acetamide CAS Name: N-[1-(4-chloroanilino)-4-(pyridin-4-ylmethyl)-7-isoquinolinyl]acetamide IUPAC Name: N-[1-(4-chloroanilino)-4-(pyridin-4-ylmethyl)isoquinolin-7-yl]acetamide Traditional Name: N-[1-(4-chloroanilino)-4-(4-pyridylmethyl)-7-isoquinolyl]acetamide Formula: C23H19ClN4O MolecularWeight: 402.87616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN4O/c1-15(29)27-20-6-7-21-17(12-16-8-10-25-11-9-16)14-26-23(22(21)13-20)28-19-4-2-18(24)3-5-19/h2-11,13-14H,12H2,1H3,(H,26,28)(H,27,29)