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

Systemtic Name: N-[3-azanyl-4-(4-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]ethanamide Openeye Name: N-[3-amino-1-oxo-4-(p-tolyl)-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]acetamide CAS Name: N-[3-amino-4-(4-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]acetamide IUPAC Name: N-[3-amino-4-(4-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]acetamide Traditional Name: N-[3-amino-1-keto-4-(p-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]acetamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C)CC4CCCO4)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C)CC4CCCO4)N

InChI

InChI=1S/C23H25N3O3/c1-14-5-7-16(8-6-14)21-19-10-9-17(25-15(2)27)12-20(19)23(28)26(22(21)24)13-18-4-3-11-29-18/h5-10,12,18H,3-4,11,13,24H2,1-2H3,(H,25,27)