N-(5-tert-butyl-2-methoxy-phenyl)-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-1-(6-chloro-3-pyridazinyl)-3-piperidinecarboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-(6-chloropyridazin-3-yl)nipecotamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-21(2,3)15-7-8-17(28-4)16(12-15)23-20(27)14-6-5-11-26(13-14)19-10-9-18(22)24-25-19/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,23,27)