N-[4-(azepan-1-yl)phenyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-benzyl-3,5-dimethyl-pyrazole-4-carboxamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H30N4O/c1-19-24(20(2)29(27-19)18-21-10-6-5-7-11-21)25(30)26-22-12-14-23(15-13-22)28-16-8-3-4-9-17-28/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3,(H,26,30)