azepan-1-yl-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone Formula: C23H25N3O2 MolecularWeight: 375.4635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-28-20-13-9-10-18(16-20)22-21(23(27)25-14-7-2-3-8-15-25)17-26(24-22)19-11-5-4-6-12-19/h4-6,9-13,16-17H,2-3,7-8,14-15H2,1H3