N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-[4-(2-thenyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H30N4OS/c27-22(18-6-2-1-3-7-18)24-19-9-10-21(23-16-19)26-12-5-11-25(13-14-26)17-20-8-4-15-28-20/h4,8-10,15-16,18H,1-3,5-7,11-14,17H2,(H,24,27)