N-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]propanamide

Systemtic Name: N-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]propanamide Openeye Name: N-[3-amino-4-(m-tolyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]propanamide CAS Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]propanamide IUPAC Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]propanamide Traditional Name: N-[3-amino-1-keto-4-(m-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]propionamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CC3CCCO3)N)C4=CC(=CC=C4)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CC3CCCO3)N)C4=CC(=CC=C4)C

InChI

InChI=1S/C24H27N3O3/c1-3-21(28)26-17-9-10-19-20(13-17)24(29)27(14-18-8-5-11-30-18)23(25)22(19)16-7-4-6-15(2)12-16/h4,6-7,9-10,12-13,18H,3,5,8,11,14,25H2,1-2H3,(H,26,28)