1-cyano-2-methyl-3-[4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butyl]guanidine

Systemtic Name: 1-cyano-2-methyl-3-[4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butyl]guanidine Openeye Name: 1-cyano-2-methyl-3-[4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butyl]guanidine CAS Name: 1-cyano-2-methyl-3-[4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butyl]guanidine IUPAC Name: 1-cyano-2-methyl-3-[4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butyl]guanidine Traditional Name: 1-cyano-3-[4-[6-keto-3-(p-tolyl)pyridazin-1-yl]butyl]-2-methyl-guanidine Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCCNC(=NC)NC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCCNC(=NC)NC#N

InChI

InChI=1S/C18H22N6O/c1-14-5-7-15(8-6-14)16-9-10-17(25)24(23-16)12-4-3-11-21-18(20-2)22-13-19/h5-10H,3-4,11-12H2,1-2H3,(H2,20,21,22)