(3-chloranylthiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-chloranylthiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-chloro-2-thienyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-chloro-2-thiophenyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-chlorothiophen-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-chloro-2-thienyl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Cl)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Cl)CC3=CC=CC=N3

InChI

InChI=1S/C16H18ClN3OS/c17-14-5-11-22-15(14)16(21)20-8-3-7-19(9-10-20)12-13-4-1-2-6-18-13/h1-2,4-6,11H,3,7-10,12H2