N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[1-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CC5=CC=CC=C5CN4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CC5=CC=CC=C5CN4

InChI

InChI=1S/C27H27N3O4/c31-26(22-15-19-8-4-5-9-20(19)17-28-22)30-23(14-18-6-2-1-3-7-18)27(32)29-21-10-11-24-25(16-21)34-13-12-33-24/h1-11,16,22-23,28H,12-15,17H2,(H,29,32)(H,30,31)