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

Systemtic Name: N-[3-azanyl-4-(4-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methoxy-benzamide Openeye Name: N-[3-amino-1-oxo-4-(p-tolyl)-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-3-methoxy-benzamide CAS Name: N-[3-amino-4-(4-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-3-methoxybenzamide IUPAC Name: N-[3-amino-4-(4-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methoxybenzamide Traditional Name: N-[3-amino-1-keto-4-(p-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]-3-methoxy-benzamide Formula: C29H29N3O4 MolecularWeight: 483.55826

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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=C4)OC)CC5CCCO5)N

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O4/c1-18-8-10-19(11-9-18)26-24-13-12-21(31-28(33)20-5-3-6-22(15-20)35-2)16-25(24)29(34)32(27(26)30)17-23-7-4-14-36-23/h3,5-6,8-13,15-16,23H,4,7,14,17,30H2,1-2H3,(H,31,33)