1,3,5-trimethyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 1,3,5-trimethyl-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1,3,5-trimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1,3,5-trimethyl-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1,3,5-trimethyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-1,3,5-trimethyl-pyrazole-4-carboxamide Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C18H23N5O2/c1-12-17(13(2)22(3)21-12)18(25)20-10-14-4-6-15(7-5-14)23-9-8-19-16(24)11-23/h4-7H,8-11H2,1-3H3,(H,19,24)(H,20,25)