5-chloranyl-3-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[4-[4-(m-tolyl)piperazino]butyl]pyrazole-4-carboxamide Formula: C27H34ClN5O MolecularWeight: 480.04476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H34ClN5O/c1-21-9-8-12-24(19-21)32-17-15-31(16-18-32)14-7-6-13-29-27(34)25-22(2)30-33(26(25)28)20-23-10-4-3-5-11-23/h3-5,8-12,19H,6-7,13-18,20H2,1-2H3,(H,29,34)