1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Openeye Name: 1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide CAS Name: 1-(1,4-dithiepan-6-yl)-N-[3-(1-pyrazolyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide Traditional Name: 1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)nipecotamide Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CSCCSC2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1CC(CN(C1)C2CSCCSC2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C20H26N4OS2/c25-20(22-17-5-1-6-18(12-17)24-9-3-7-21-24)16-4-2-8-23(13-16)19-14-26-10-11-27-15-19/h1,3,5-7,9,12,16,19H,2,4,8,10-11,13-15H2,(H,22,25)