(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N4O2/c1-19-24(20(2)29(26-19)22-8-5-4-6-9-22)25(30)28-15-7-14-27(16-17-28)18-21-10-12-23(31-3)13-11-21/h4-6,8-13H,7,14-18H2,1-3H3