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

Systemtic Name: N-[3-azanyl-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxidanylidene-isoquinolin-7-yl]-2-methyl-benzamide Openeye Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolyl]-2-methyl-benzamide CAS Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxo-7-isoquinolinyl]-2-methylbenzamide IUPAC Name: N-[3-amino-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-1-oxoisoquinolin-7-yl]-2-methylbenzamide Traditional Name: N-[3-amino-1-keto-4-(2-methoxyphenyl)-2-(3-methoxypropyl)-7-isoquinolyl]-2-methyl-benzamide Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CCCOC)N)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)CCCOC)N)C4=CC=CC=C4OC

InChI

InChI=1S/C28H29N3O4/c1-18-9-4-5-10-20(18)27(32)30-19-13-14-21-23(17-19)28(33)31(15-8-16-34-2)26(29)25(21)22-11-6-7-12-24(22)35-3/h4-7,9-14,17H,8,15-16,29H2,1-3H3,(H,30,32)