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

Systemtic Name: N-[1-[(3-chlorophenyl)amino]-4-(pyridin-4-ylmethyl)isoquinolin-7-yl]-3-nitro-benzamide Openeye Name: N-[1-(3-chloroanilino)-4-(4-pyridylmethyl)-7-isoquinolyl]-3-nitro-benzamide CAS Name: N-[1-(3-chloroanilino)-4-(pyridin-4-ylmethyl)-7-isoquinolinyl]-3-nitrobenzamide IUPAC Name: N-[1-(3-chloroanilino)-4-(pyridin-4-ylmethyl)isoquinolin-7-yl]-3-nitrobenzamide Traditional Name: N-[1-(3-chloroanilino)-4-(4-pyridylmethyl)-7-isoquinolyl]-3-nitro-benzamide Formula: C28H20ClN5O3 MolecularWeight: 509.9431

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H20ClN5O3/c29-21-4-2-5-22(15-21)32-27-26-16-23(33-28(35)19-3-1-6-24(14-19)34(36)37)7-8-25(26)20(17-31-27)13-18-9-11-30-12-10-18/h1-12,14-17H,13H2,(H,31,32)(H,33,35)