4-(5-chloranyl-2-methyl-phenyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-[(1-phenyl-4-pyrazolyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide Formula: C22H24ClN5O MolecularWeight: 409.91186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24ClN5O/c1-17-7-8-19(23)13-21(17)26-9-11-27(12-10-26)22(29)24-14-18-15-25-28(16-18)20-5-3-2-4-6-20/h2-8,13,15-16H,9-12,14H2,1H3,(H,24,29)