N-(1-azanylisoquinolin-6-yl)-3-(methylamino)-3-(3-methylphenyl)-2-oxidanyl-propanamide; benzamide

Systemtic Name: N-(1-azanylisoquinolin-6-yl)-3-(methylamino)-3-(3-methylphenyl)-2-oxidanyl-propanamide; benzamide Openeye Name: N-(1-amino-6-isoquinolyl)-2-hydroxy-3-(methylamino)-3-(m-tolyl)propanamide; benzamide CAS Name: N-(1-amino-6-isoquinolinyl)-2-hydroxy-3-(methylamino)-3-(3-methylphenyl)propanamide; benzamide IUPAC Name: N-(1-aminoisoquinolin-6-yl)-2-hydroxy-3-(methylamino)-3-(3-methylphenyl)propanamide; benzamide Traditional Name: N-(1-amino-6-isoquinolyl)-2-hydroxy-3-(methylamino)-3-(m-tolyl)propionamide; benzamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C(C(=O)NC2=CC3=C(C=C2)C(=NC=C3)N)O)NC.C1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(C(C(=O)NC2=CC3=C(C=C2)C(=NC=C3)N)O)NC.C1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C20H22N4O2.C7H7NO/c1-12-4-3-5-14(10-12)17(22-2)18(25)20(26)24-15-6-7-16-13(11-15)8-9-23-19(16)21;8-7(9)6-4-2-1-3-5-6/h3-11,17-18,22,25H,1-2H3,(H2,21,23)(H,24,26);1-5H,(H2,8,9)