3-azanyl-N-[1-[(3-chlorophenyl)amino]-4-(pyridin-4-ylmethyl)isoquinolin-7-yl]benzamide

Systemtic Name: 3-azanyl-N-[1-[(3-chlorophenyl)amino]-4-(pyridin-4-ylmethyl)isoquinolin-7-yl]benzamide Openeye Name: 3-amino-N-[1-(3-chloroanilino)-4-(4-pyridylmethyl)-7-isoquinolyl]benzamide CAS Name: 3-amino-N-[1-(3-chloroanilino)-4-(pyridin-4-ylmethyl)-7-isoquinolinyl]benzamide IUPAC Name: 3-amino-N-[1-(3-chloroanilino)-4-(pyridin-4-ylmethyl)isoquinolin-7-yl]benzamide Traditional Name: 3-amino-N-[1-(3-chloroanilino)-4-(4-pyridylmethyl)-7-isoquinolyl]benzamide Formula: C28H22ClN5O MolecularWeight: 479.96018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClN5O/c29-21-4-2-6-23(15-21)33-27-26-16-24(34-28(35)19-3-1-5-22(30)14-19)7-8-25(26)20(17-32-27)13-18-9-11-31-12-10-18/h1-12,14-17H,13,30H2,(H,32,33)(H,34,35)