4-(pyridin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(pyridin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-pyridylmethyl)-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(pyridin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(pyridin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-pyridylmethyl)-N-[2-(2-thienyl)ethyl]-1,4-diazepane-1-carboxamide Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCCC2=CC=CS2)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCCC2=CC=CS2)CC3=CC=NC=C3

InChI

InChI=1S/C18H24N4OS/c23-18(20-9-6-17-3-1-14-24-17)22-11-2-10-21(12-13-22)15-16-4-7-19-8-5-16/h1,3-5,7-8,14H,2,6,9-13,15H2,(H,20,23)