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

Systemtic Name: N-[3-azanyl-4-(3-methylphenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]benzamide Openeye Name: N-[3-amino-4-(m-tolyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]benzamide CAS Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]benzamide IUPAC Name: N-[3-amino-4-(3-methylphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]benzamide Traditional Name: N-[3-amino-1-keto-4-(m-tolyl)-2-(tetrahydrofurfuryl)-7-isoquinolyl]benzamide Formula: C28H27N3O3 MolecularWeight: 453.53228

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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)CC5CCCO5)N

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3/c1-18-7-5-10-20(15-18)25-23-13-12-21(30-27(32)19-8-3-2-4-9-19)16-24(23)28(33)31(26(25)29)17-22-11-6-14-34-22/h2-5,7-10,12-13,15-16,22H,6,11,14,17,29H2,1H3,(H,30,32)