N-(3-azanyl-2-cyclopropyl-1-oxidanylidene-4-phenyl-isoquinolin-7-yl)propanamide

Systemtic Name: N-(3-azanyl-2-cyclopropyl-1-oxidanylidene-4-phenyl-isoquinolin-7-yl)propanamide Openeye Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-7-isoquinolyl)propanamide CAS Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-7-isoquinolinyl)propanamide IUPAC Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenylisoquinolin-7-yl)propanamide Traditional Name: N-(3-amino-2-cyclopropyl-1-keto-4-phenyl-7-isoquinolyl)propionamide Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)C3CC3)N)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)C3CC3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2/c1-2-18(25)23-14-8-11-16-17(12-14)21(26)24(15-9-10-15)20(22)19(16)13-6-4-3-5-7-13/h3-8,11-12,15H,2,9-10,22H2,1H3,(H,23,25)