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

Systemtic Name: N-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methoxy-benzamide Openeye Name: N-[3-amino-4-(m-tolyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-3-methoxy-benzamide CAS Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-3-methoxybenzamide IUPAC Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methoxybenzamide Traditional Name: N-[3-amino-1-keto-4-(m-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=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC(=CC=C4)OC)CC5CCCO5)N

Isomeric SMILES

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

InChI

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