[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] N,N-bis(2-cyanoethyl)carbamate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] N,N-bis(2-cyanoethyl)carbamate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] N,N-bis(2-cyanoethyl)carbamate CAS Name: N,N-bis(2-cyanoethyl)carbamic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] N,N-bis(2-cyanoethyl)carbamate Traditional Name: N,N-bis(2-cyanoethyl)carbamic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)N(CCC#N)CCC#N)Cl)C3CC3

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)N(CCC#N)CCC#N)Cl)C3CC3

InChI

InChI=1S/C21H20ClN5O3/c1-14-5-2-6-16(15-7-8-15)19(14)30-20-17(13-18(22)25-26-20)29-21(28)27(11-3-9-23)12-4-10-24/h2,5-6,13,15H,3-4,7-8,11-12H2,1H3