3-[4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,5-dimethyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,5-dimethylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-propyl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

InChI

InChI=1S/C26H30N4O3S/c1-17-20(18(2)30(28-17)12-6-11-27)8-9-25(31)29-13-10-19-15-22(32-3)23(33-4)16-21(19)26(29)24-7-5-14-34-24/h5,7,14-16,26H,6,8-10,12-13H2,1-4H3