2-(1-azanylisoquinolin-7-yl)carbonyl-4-methyl-N-(2-oxidanyl-2-phenyl-ethyl)benzamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)carbonyl-4-methyl-N-(2-oxidanyl-2-phenyl-ethyl)benzamide Openeye Name: 2-(1-aminoisoquinoline-7-carbonyl)-N-(2-hydroxy-2-phenyl-ethyl)-4-methyl-benzamide CAS Name: 2-[(1-amino-7-isoquinolinyl)-oxomethyl]-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide IUPAC Name: 2-(1-aminoisoquinoline-7-carbonyl)-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide Traditional Name: 2-(1-aminoisoquinoline-7-carbonyl)-N-(2-hydroxy-2-phenyl-ethyl)-4-methyl-benzamide Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NCC(C2=CC=CC=C2)O)C(=O)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NCC(C2=CC=CC=C2)O)C(=O)C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H23N3O3/c1-16-7-10-20(26(32)29-15-23(30)18-5-3-2-4-6-18)22(13-16)24(31)19-9-8-17-11-12-28-25(27)21(17)14-19/h2-14,23,30H,15H2,1H3,(H2,27,28)(H,29,32)