N-[3-azanyl-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxidanylidene-isoquinolin-7-yl]propanamide

Systemtic Name: N-[3-azanyl-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxidanylidene-isoquinolin-7-yl]propanamide Openeye Name: N-[3-amino-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxo-7-isoquinolyl]propanamide CAS Name: N-[3-amino-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxo-7-isoquinolinyl]propanamide IUPAC Name: N-[3-amino-2-cyclopropyl-4-(2-methoxyphenyl)-1-oxoisoquinolin-7-yl]propanamide Traditional Name: N-[3-amino-2-cyclopropyl-1-keto-4-(2-methoxyphenyl)-7-isoquinolyl]propionamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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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=C4OC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)C3CC3)N)C4=CC=CC=C4OC

InChI

InChI=1S/C22H23N3O3/c1-3-19(26)24-13-8-11-15-17(12-13)22(27)25(14-9-10-14)21(23)20(15)16-6-4-5-7-18(16)28-2/h4-8,11-12,14H,3,9-10,23H2,1-2H3,(H,24,26)