1-[4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]ethanone Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCCN(CC1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-19(29)27-13-7-12-26(14-15-27)17-21-18-28(22-9-4-3-5-10-22)25-24(21)20-8-6-11-23(16-20)30-2/h3-6,8-11,16,18H,7,12-15,17H2,1-2H3