N-[2-(4-tert-butylphenyl)ethyl]-4-(4-chloranylpyridazin-3-yl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(4-chloranylpyridazin-3-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(4-chloropyridazin-3-yl)-2-methyl-piperazine-1-carboxamide CAS Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(4-chloro-3-pyridazinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(4-chloropyridazin-3-yl)-2-methylpiperazine-1-carboxamide Traditional Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(4-chloropyridazin-3-yl)-2-methyl-piperazine-1-carboxamide Formula: C22H30ClN5O MolecularWeight: 415.9595

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NCCC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CN=N3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NCCC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CN=N3)Cl

InChI

InChI=1S/C22H30ClN5O/c1-16-15-27(20-19(23)10-12-25-26-20)13-14-28(16)21(29)24-11-9-17-5-7-18(8-6-17)22(2,3)4/h5-8,10,12,16H,9,11,13-15H2,1-4H3,(H,24,29)