heptyl (NE)-N-(6-butoxy-1-phenyl-pyridazin-4-ylidene)carbamate

Systemtic Name: heptyl (NE)-N-(6-butoxy-1-phenyl-pyridazin-4-ylidene)carbamate Openeye Name: heptyl (NE)-N-(6-butoxy-1-phenyl-pyridazin-4-ylidene)carbamate CAS Name: (NE)-N-(6-butoxy-1-phenyl-4-pyridazinylidene)carbamic acid heptyl ester IUPAC Name: heptyl (NE)-N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate Traditional Name: (NE)-N-(6-butoxy-1-phenyl-pyridazin-4-ylidene)carbamic acid heptyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)N=C1C=C(N(N=C1)C2=CC=CC=C2)OCCCC

Isomeric SMILES

CCCCCCCOC(=O)/N=C/1\C=C(N(N=C1)C2=CC=CC=C2)OCCCC

InChI

InChI=1S/C22H31N3O3/c1-3-5-7-8-12-16-28-22(26)24-19-17-21(27-15-6-4-2)25(23-18-19)20-13-10-9-11-14-20/h9-11,13-14,17-18H,3-8,12,15-16H2,1-2H3/b24-19+