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

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(3-imidazol-1-ylpropylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(3-imidazol-1-ylpropylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[3-(1-imidazolyl)propylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(3-imidazol-1-ylpropylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-(3-imidazol-1-ylpropylamino)-4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)cyclobut-3-ene-1,2-quinone Formula: C21H21N5O3 MolecularWeight: 391.42314

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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)NCCCN4C=CN=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(C(=O)C3=O)NCCCN4C=CN=C4

InChI

InChI=1S/C21H21N5O3/c1-14-16(21(29)26(24(14)2)15-7-4-3-5-8-15)17-18(20(28)19(17)27)23-9-6-11-25-12-10-22-13-25/h3-5,7-8,10,12-13,23H,6,9,11H2,1-2H3