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

Systemtic Name: azepan-1-yl-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanone Traditional Name: azepan-1-yl-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c25-21(23-12-6-1-2-7-13-23)18-16-24(15-17-9-4-3-5-10-17)22-20(18)19-11-8-14-26-19/h3-5,8-11,14,16H,1-2,6-7,12-13,15H2