1-(2,5-dimethylpyrazol-3-yl)-3-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]urea

Systemtic Name: 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]urea Openeye Name: 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea CAS Name: 1-(2,5-dimethyl-3-pyrazolyl)-3-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]urea IUPAC Name: 1-(2,5-dimethylpyrazol-3-yl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea Traditional Name: 1-(2,5-dimethylpyrazol-3-yl)-3-[4-(3-ketopiperazino)benzyl]urea Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)C

InChI

InChI=1S/C17H22N6O2/c1-12-9-15(22(2)21-12)20-17(25)19-10-13-3-5-14(6-4-13)23-8-7-18-16(24)11-23/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,24)(H2,19,20,25)