N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide Openeye Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide IUPAC Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide Traditional Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C27H21ClN4O3 MolecularWeight: 484.93364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H21ClN4O3/c28-24-17-20(11-12-22(24)23(18-29)19-7-3-1-4-8-19)30-27(34)25-13-14-26(33)32(31-25)15-16-35-21-9-5-2-6-10-21/h1-14,17,23H,15-16H2,(H,30,34)