N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[6-(3-ketopiperazino)-3-pyridyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C24H22N6O2S MolecularWeight: 458.53548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H22N6O2S/c31-22-16-29(11-10-25-22)21-9-8-18(13-26-21)27-24(32)19-15-30(14-17-5-2-1-3-6-17)28-23(19)20-7-4-12-33-20/h1-9,12-13,15H,10-11,14,16H2,(H,25,31)(H,27,32)