N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C25H31N5O MolecularWeight: 417.54654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O/c1-20-25(21(2)30(27-20)23-12-7-4-8-13-23)26-24(31)19-29-15-9-14-28(16-17-29)18-22-10-5-3-6-11-22/h3-8,10-13H,9,14-19H2,1-2H3,(H,26,31)