5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[(3-piperidin-1-ylphenyl)amino]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-[(3-piperidin-1-ylphenyl)amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(1-piperidyl)anilino]pyrazole-4-carbonitrile CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-[3-(1-piperidinyl)anilino]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-piperidin-1-ylanilino)pyrazole-4-carbonitrile Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(3-piperidinoanilino)pyrazole-4-carbonitrile Formula: C22H21N7S MolecularWeight: 415.51404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)C2=CC(=CC=C2)NC3=NN(C(=C3C#N)N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N7S/c23-14-17-20(24)29(22-26-18-9-2-3-10-19(18)30-22)27-21(17)25-15-7-6-8-16(13-15)28-11-4-1-5-12-28/h2-3,6-10,13H,1,4-5,11-12,24H2,(H,25,27)