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

Systemtic Name: N-[3-azanyl-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]propanamide Openeye Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolyl]propanamide CAS Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolinyl]propanamide IUPAC Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxoisoquinolin-7-yl]propanamide Traditional Name: N-[3-amino-1-keto-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-7-isoquinolyl]propionamide Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CCCOC)N)C3=CC=CC=C3OC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CCCOC)N)C3=CC=CC=C3OC

InChI

InChI=1S/C23H27N3O4/c1-4-20(27)25-15-10-11-16-18(14-15)23(28)26(12-7-13-29-2)22(24)21(16)17-8-5-6-9-19(17)30-3/h5-6,8-11,14H,4,7,12-13,24H2,1-3H3,(H,25,27)