N-[3-azanyl-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]benzamide

Systemtic Name: N-[3-azanyl-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]benzamide Openeye Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolyl]benzamide CAS Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolinyl]benzamide IUPAC Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxoisoquinolin-7-yl]benzamide Traditional Name: N-[3-amino-1-keto-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-7-isoquinolyl]benzamide Formula: C27H27N3O4 MolecularWeight: 457.52098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4OC)N

Isomeric SMILES

COCCCN1C(=C(C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4OC)N

InChI

InChI=1S/C27H27N3O4/c1-33-16-8-15-30-25(28)24(21-11-6-7-12-23(21)34-2)20-14-13-19(17-22(20)27(30)32)29-26(31)18-9-4-3-5-10-18/h3-7,9-14,17H,8,15-16,28H2,1-2H3,(H,29,31)