N-[1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-[(4-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-benzyl-2-(4-methylanilino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-benzyl-2-keto-2-(p-toluidino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4CN3

InChI

InChI=1S/C26H27N3O2/c1-18-11-13-22(14-12-18)28-26(31)24(15-19-7-3-2-4-8-19)29-25(30)23-16-20-9-5-6-10-21(20)17-27-23/h2-14,23-24,27H,15-17H2,1H3,(H,28,31)(H,29,30)