N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-[4-[(4-ethylpiperazino)methyl]phenyl]-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C27H34N6OS MolecularWeight: 490.66346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NN=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C27H34N6OS/c1-2-31-15-17-32(18-16-31)20-21-5-7-23(8-6-21)28-27(34)22-11-13-33(14-12-22)26-10-9-24(29-30-26)25-4-3-19-35-25/h3-10,19,22H,2,11-18,20H2,1H3,(H,28,34)