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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O6/c1-5-15(2)23(24(29)26-18-6-7-19-22(12-18)34-14-33-19)27-25(30)28-9-8-16-10-20(31-3)21(32-4)11-17(16)13-28/h6-7,10-12,15,23H,5,8-9,13-14H2,1-4H3,(H,26,29)(H,27,30)/t15-,23-/m0/s1