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

Systemtic Name: azepan-1-yl-[1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O2S/c31-25(28-14-6-1-2-7-15-28)20-12-16-29(17-13-20)26(32)22-19-30(21-9-4-3-5-10-21)27-24(22)23-11-8-18-33-23/h3-5,8-11,18-20H,1-2,6-7,12-17H2