2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(4-methylphenyl)carbonylamino]benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(4-methylphenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(4-methylbenzoyl)amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[[(4-methylphenyl)-oxomethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-[(4-methylbenzoyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-(p-toluoylamino)benzamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCCCOC

InChI

InChI=1S/C28H31N3O3/c1-20-8-10-22(11-9-20)27(32)30-24-12-13-26(25(18-24)28(33)29-15-5-17-34-2)31-16-14-21-6-3-4-7-23(21)19-31/h3-4,6-13,18H,5,14-17,19H2,1-2H3,(H,29,33)(H,30,32)