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

Systemtic Name: N-[3-azanyl-4-(4-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-2-methyl-benzamide Openeye Name: N-[3-amino-1-oxo-4-(p-tolyl)-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-2-methyl-benzamide CAS Name: N-[3-amino-4-(4-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-2-methylbenzamide IUPAC Name: N-[3-amino-4-(4-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-2-methylbenzamide Traditional Name: N-[3-amino-1-keto-4-(p-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]-2-methyl-benzamide Formula: C29H29N3O3 MolecularWeight: 467.55886

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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)C4=CC=CC=C4C)CC5CCCO5)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4C)CC5CCCO5)N

InChI

InChI=1S/C29H29N3O3/c1-18-9-11-20(12-10-18)26-24-14-13-21(31-28(33)23-8-4-3-6-19(23)2)16-25(24)29(34)32(27(26)30)17-22-7-5-15-35-22/h3-4,6,8-14,16,22H,5,7,15,17,30H2,1-2H3,(H,31,33)