5-chloranyl-3-methyl-1-(phenylmethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-(phenylmethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-N-[3-(1-pyrrolidinylmethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[3-(pyrrolidinomethyl)phenyl]pyrazole-4-carboxamide Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)CN3CCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=CC(=C2)CN3CCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O/c1-17-21(22(24)28(26-17)16-18-8-3-2-4-9-18)23(29)25-20-11-7-10-19(14-20)15-27-12-5-6-13-27/h2-4,7-11,14H,5-6,12-13,15-16H2,1H3,(H,25,29)