N-[3-(cyclohexylamino)-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[3-(cyclohexylamino)-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[3-(cyclohexylamino)-3-oxo-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-(cyclohexylamino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[3-(cyclohexylamino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-(cyclohexylamino)-3-keto-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3CCCCC3)OC

InChI

InChI=1S/C21H31N3O4/c1-27-18-12-15-9-11-24(14-16(15)13-19(18)28-2)21(26)22-10-8-20(25)23-17-6-4-3-5-7-17/h12-13,17H,3-11,14H2,1-2H3,(H,22,26)(H,23,25)