N-[3-azanyl-2-(2-methoxyethyl)-1-oxidanylidene-4-phenyl-isoquinolin-7-yl]cyclopropanecarboxamide

Systemtic Name: N-[3-azanyl-2-(2-methoxyethyl)-1-oxidanylidene-4-phenyl-isoquinolin-7-yl]cyclopropanecarboxamide Openeye Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenyl-7-isoquinolyl]cyclopropanecarboxamide CAS Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenyl-7-isoquinolinyl]cyclopropanecarboxamide IUPAC Name: N-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenylisoquinolin-7-yl]cyclopropanecarboxamide Traditional Name: N-[3-amino-1-keto-2-(2-methoxyethyl)-4-phenyl-7-isoquinolyl]cyclopropanecarboxamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3CC3)C4=CC=CC=C4)N

Isomeric SMILES

COCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3CC3)C4=CC=CC=C4)N

InChI

InChI=1S/C22H23N3O3/c1-28-12-11-25-20(23)19(14-5-3-2-4-6-14)17-10-9-16(13-18(17)22(25)27)24-21(26)15-7-8-15/h2-6,9-10,13,15H,7-8,11-12,23H2,1H3,(H,24,26)