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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Cl)CC3=CN=CC=C3

InChI

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