N-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylamino)-1-benzyl-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylamino)-1-benzyl-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(NCC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N3O4/c30-25(21-13-18-8-4-5-9-19(18)15-27-21)29-22(12-17-6-2-1-3-7-17)26(31)28-20-10-11-23-24(14-20)33-16-32-23/h1-11,14,21-22,27H,12-13,15-16H2,(H,28,31)(H,29,30)