N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-methyl-butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxopentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-4-methyl-1-oxopentan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-3-methyl-butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C25H31N3O6/c1-15(2)9-19(24(29)26-18-5-6-20-23(12-18)34-14-33-20)27-25(30)28-8-7-16-10-21(31-3)22(32-4)11-17(16)13-28/h5-6,10-12,15,19H,7-9,13-14H2,1-4H3,(H,26,29)(H,27,30)/t19-/m0/s1