N-[3-azanyl-4-(2-methoxyphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methyl-butanamide

Systemtic Name: N-[3-azanyl-4-(2-methoxyphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methyl-butanamide Openeye Name: N-[3-amino-4-(2-methoxyphenyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-3-methyl-butanamide CAS Name: N-[3-amino-4-(2-methoxyphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-3-methylbutanamide IUPAC Name: N-[3-amino-4-(2-methoxyphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methylbutanamide Traditional Name: N-[3-amino-1-keto-4-(2-methoxyphenyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]-3-methyl-butyramide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CC3CCCO3)N)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CC3CCCO3)N)C4=CC=CC=C4OC

InChI

InChI=1S/C26H31N3O4/c1-16(2)13-23(30)28-17-10-11-19-21(14-17)26(31)29(15-18-7-6-12-33-18)25(27)24(19)20-8-4-5-9-22(20)32-3/h4-5,8-11,14,16,18H,6-7,12-13,15,27H2,1-3H3,(H,28,30)