3-(cyclohexylamino)-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclohexylamino)-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclohexylamino)-4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclohexylamino)-4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclohexylamino)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclohexylamino)-4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)cyclobut-3-ene-1,2-quinone Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(C(=O)C3=O)NC4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(C(=O)C3=O)NC4CCCCC4

InChI

InChI=1S/C21H23N3O3/c1-13-16(21(27)24(23(13)2)15-11-7-4-8-12-15)17-18(20(26)19(17)25)22-14-9-5-3-6-10-14/h4,7-8,11-12,14,22H,3,5-6,9-10H2,1-2H3