N-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-propyl-isoquinolin-7-yl]benzamide

Systemtic Name: N-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-propyl-isoquinolin-7-yl]benzamide Openeye Name: N-[3-amino-4-(m-tolyl)-1-oxo-2-propyl-7-isoquinolyl]benzamide CAS Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-propyl-7-isoquinolinyl]benzamide IUPAC Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-propylisoquinolin-7-yl]benzamide Traditional Name: N-[3-amino-1-keto-4-(m-tolyl)-2-propyl-7-isoquinolyl]benzamide Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C)N

Isomeric SMILES

CCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)C)N

InChI

InChI=1S/C26H25N3O2/c1-3-14-29-24(27)23(19-11-7-8-17(2)15-19)21-13-12-20(16-22(21)26(29)31)28-25(30)18-9-5-4-6-10-18/h4-13,15-16H,3,14,27H2,1-2H3,(H,28,30)