azepan-1-yl-[1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N4O2S/c32-26(29-14-6-1-2-7-15-29)22-12-16-30(17-13-22)27(33)23-20-31(19-21-9-4-3-5-10-21)28-25(23)24-11-8-18-34-24/h3-5,8-11,18,20,22H,1-2,6-7,12-17,19H2