1-[(5-chloranylthiophen-2-yl)-pyridin-4-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-pyridin-4-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-thienyl)-(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-thiophenyl)-pyridin-4-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(5-chlorothiophen-2-yl)-pyridin-4-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-thienyl)-(4-pyridyl)methyl]-1,4-diazepane Formula: C15H18ClN3S MolecularWeight: 307.84152

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=NC=C2)C3=CC=C(S3)Cl

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=NC=C2)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H18ClN3S/c16-14-3-2-13(20-14)15(12-4-7-18-8-5-12)19-10-1-6-17-9-11-19/h2-5,7-8,15,17H,1,6,9-11H2