1-[3-(3,4-dimethoxyphenyl)-1-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-4-carbonitrile

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-1-methyl-thieno[2,3-c]pyrazol-5-yl]carbonylpiperidine-4-carbonitrile Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carbonyl]piperidine-4-carbonitrile CAS Name: 1-[[3-(3,4-dimethoxyphenyl)-1-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-1-methylthieno[2,3-c]pyrazole-5-carbonyl]piperidine-4-carbonitrile Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-1-methyl-thieno[2,3-c]pyrazole-5-carbonyl]isonipecotonitrile Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(S2)C(=O)N3CCC(CC3)C#N)C(=N1)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C(C=C(S2)C(=O)N3CCC(CC3)C#N)C(=N1)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H22N4O3S/c1-24-21-15(19(23-24)14-4-5-16(27-2)17(10-14)28-3)11-18(29-21)20(26)25-8-6-13(12-22)7-9-25/h4-5,10-11,13H,6-9H2,1-3H3