N-cyclopentyl-2-(6-oxidanylidene-4-piperazin-4-ium-1-yl-pyridazin-1-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-cyclopentyl-2-(6-oxidanylidene-4-piperazin-4-ium-1-yl-pyridazin-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-4-ium-1-yl-pyridazin-1-yl)acetamide CAS Name: N-cyclopentyl-2-[6-oxo-4-(1-piperazin-4-iumyl)-1-pyridazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-4-ium-1-ylpyridazin-1-yl)acetamide Traditional Name: N-benzyl-N-cyclopentyl-2-(6-keto-4-piperazin-4-ium-1-yl-pyridazin-1-yl)acetamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C=C(C=N3)N4CC[NH2+]CC4

Isomeric SMILES

C1CCC(C1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)C=C(C=N3)N4CC[NH2+]CC4

InChI

InChI=1S/C22H29N5O2/c28-21-14-20(25-12-10-23-11-13-25)15-24-27(21)17-22(29)26(19-8-4-5-9-19)16-18-6-2-1-3-7-18/h1-3,6-7,14-15,19,23H,4-5,8-13,16-17H2/p+1