4-methyl-6-phenyl-1-[(pyridin-3-ylmethylideneamino)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: 4-methyl-6-phenyl-1-[(pyridin-3-ylmethylideneamino)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: 4-methyl-6-phenyl-1-[(3-pyridylmethyleneamino)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 4-methyl-1-[oxo-[2-(3-pyridinylmethylidene)hydrazinyl]methyl]-6-phenyl-1-cyclohex-3-enecarboxylate IUPAC Name: 4-methyl-6-phenyl-1-[(pyridin-3-ylmethylideneamino)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 4-methyl-6-phenyl-1-[(3-pyridylmethyleneamino)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H20N3O3- MolecularWeight: 362.4018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=CC=C2)(C(=O)NN=CC3=CN=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=CCC(C(C1)C2=CC=CC=C2)(C(=O)NN=CC3=CN=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H21N3O3/c1-15-9-10-21(20(26)27,18(12-15)17-7-3-2-4-8-17)19(25)24-23-14-16-6-5-11-22-13-16/h2-9,11,13-14,18H,10,12H2,1H3,(H,24,25)(H,26,27)/p-1