1-(6-chloranylpyridazin-3-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[1-(3-isopropoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[1-(3-isopropoxyphenyl)ethyl]isonipecotamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(C)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(C)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-14(2)28-18-6-4-5-17(13-18)15(3)23-21(27)16-9-11-26(12-10-16)20-8-7-19(22)24-25-20/h4-8,13-16H,9-12H2,1-3H3,(H,23,27)