6-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide

Systemtic Name: 6-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide Openeye Name: 6-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-isopentyl-pyridazine-3-carboxamide CAS Name: 6-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazinyl]-N-(3-methylbutyl)-3-pyridazinecarboxamide IUPAC Name: 6-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide Traditional Name: 6-[4-(2-chlorobenzoyl)piperazino]-N-isoamyl-pyridazine-3-carboxamide Formula: C21H26ClN5O2 MolecularWeight: 415.91644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN5O2/c1-15(2)9-10-23-20(28)18-7-8-19(25-24-18)26-11-13-27(14-12-26)21(29)16-5-3-4-6-17(16)22/h3-8,15H,9-14H2,1-2H3,(H,23,28)