1-(1,4-dithiepan-6-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(1,4-dithiepan-6-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(1,4-dithiepan-6-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide CAS Name: 1-(1,4-dithiepan-6-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,4-dithiepan-6-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(1,4-dithiepan-6-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]nipecotamide Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CSCCSC2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

C1CC(CN(C1)C2CSCCSC2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C20H26N4OS2/c25-20(22-17-5-3-15(4-6-17)19-7-8-21-23-19)16-2-1-9-24(12-16)18-13-26-10-11-27-14-18/h3-8,16,18H,1-2,9-14H2,(H,21,23)(H,22,25)