N-(1-azanylisoquinolin-6-yl)-3-(ethylamino)-3-(4-ethyl-3-methyl-phenyl)-2-oxidanyl-propanamide; benzamide

Systemtic Name: N-(1-azanylisoquinolin-6-yl)-3-(ethylamino)-3-(4-ethyl-3-methyl-phenyl)-2-oxidanyl-propanamide; benzamide Openeye Name: N-(1-amino-6-isoquinolyl)-3-(ethylamino)-3-(4-ethyl-3-methyl-phenyl)-2-hydroxy-propanamide; benzamide CAS Name: N-(1-amino-6-isoquinolinyl)-3-(ethylamino)-3-(4-ethyl-3-methylphenyl)-2-hydroxypropanamide; benzamide IUPAC Name: N-(1-aminoisoquinolin-6-yl)-3-(ethylamino)-3-(4-ethyl-3-methylphenyl)-2-hydroxypropanamide; benzamide Traditional Name: N-(1-amino-6-isoquinolyl)-3-(ethylamino)-3-(4-ethyl-3-methyl-phenyl)-2-hydroxy-propionamide; benzamide Formula: C30H35N5O3 MolecularWeight: 513.6306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(C(C(=O)NC2=CC3=C(C=C2)C(=NC=C3)N)O)NCC)C.C1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(C(C(=O)NC2=CC3=C(C=C2)C(=NC=C3)N)O)NCC)C.C1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C23H28N4O2.C7H7NO/c1-4-15-6-7-17(12-14(15)3)20(25-5-2)21(28)23(29)27-18-8-9-19-16(13-18)10-11-26-22(19)24;8-7(9)6-4-2-1-3-5-6/h6-13,20-21,25,28H,4-5H2,1-3H3,(H2,24,26)(H,27,29);1-5H,(H2,8,9)