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

Systemtic Name: N-(1-azanylisoquinolin-6-yl)-3-(ethylamino)-3-(4-ethylphenyl)-2-oxidanyl-propanamide; benzamide Openeye Name: N-(1-amino-6-isoquinolyl)-3-(ethylamino)-3-(4-ethylphenyl)-2-hydroxy-propanamide; benzamide CAS Name: N-(1-amino-6-isoquinolinyl)-3-(ethylamino)-3-(4-ethylphenyl)-2-hydroxypropanamide; benzamide IUPAC Name: N-(1-aminoisoquinolin-6-yl)-3-(ethylamino)-3-(4-ethylphenyl)-2-hydroxypropanamide; benzamide Traditional Name: N-(1-amino-6-isoquinolyl)-3-(ethylamino)-3-(4-ethylphenyl)-2-hydroxy-propionamide; benzamide Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2.C7H7NO/c1-3-14-5-7-15(8-6-14)19(24-4-2)20(27)22(28)26-17-9-10-18-16(13-17)11-12-25-21(18)23;8-7(9)6-4-2-1-3-5-6/h5-13,19-20,24,27H,3-4H2,1-2H3,(H2,23,25)(H,26,28);1-5H,(H2,8,9)