1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]urea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]urea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]urea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]urea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea Traditional Name: 1-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)urea Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNNC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=CC1=O

InChI

InChI=1S/C21H23N5O4/c1-4-30-18-12-15(10-11-17(18)27)13-22-24-21(29)23-19-14(2)25(3)26(20(19)28)16-8-6-5-7-9-16/h5-13,22H,4H2,1-3H3,(H2,23,24,29)