N-[4-[(2S)-butan-2-yl]phenyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]pyrazole-4-carboxamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[4-[(2S)-butan-2-yl]phenyl]-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[4-[(1S)-1-methylpropyl]phenyl]pyrazole-4-carboxamide Formula: C22H24ClN3O MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H24ClN3O/c1-4-15(2)18-10-12-19(13-11-18)24-22(27)20-16(3)25-26(21(20)23)14-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,24,27)/t15-/m0/s1