N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-methyl-butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methyl-1-oxopentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-methyl-butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C26H33N3O6/c1-16(2)11-20(25(30)27-19-5-6-21-24(14-19)35-10-9-34-21)28-26(31)29-8-7-17-12-22(32-3)23(33-4)13-18(17)15-29/h5-6,12-14,16,20H,7-11,15H2,1-4H3,(H,27,30)(H,28,31)/t20-/m0/s1