N-[2-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide

Systemtic Name: N-[2-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide Openeye Name: N-[2-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide CAS Name: N-[2-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide IUPAC Name: N-[2-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide Traditional Name: N-[2-(benzofurazan-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propionamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CCN(C3)CC4=CC5=NON=C5C=C4)C=C2

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CCN(C3)CC4=CC5=NON=C5C=C4)C=C2

InChI

InChI=1S/C26H26N4O3/c1-32-25-5-3-2-4-20(25)8-11-26(31)27-22-9-7-19-12-13-30(17-21(19)15-22)16-18-6-10-23-24(14-18)29-33-28-23/h2-7,9-10,14-15H,8,11-13,16-17H2,1H3,(H,27,31)