1-(azepan-1-yl)-2-[4-(1-phenylpyrazol-4-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(1-phenylpyrazol-4-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo-(1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(1-phenylpyrazole-4-carbonyl)piperazino]ethanone Formula: C22H29N5O2 MolecularWeight: 395.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c28-21(25-10-6-1-2-7-11-25)18-24-12-14-26(15-13-24)22(29)19-16-23-27(17-19)20-8-4-3-5-9-20/h3-5,8-9,16-17H,1-2,6-7,10-15,18H2