1-[1-benzothiophen-3-yl-(2-chlorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-chlorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(2-chlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(2-chlorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(2-chlorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(2-chlorophenyl)methyl]-1,4-diazepane Formula: C20H21ClN2S MolecularWeight: 356.91214

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC=C2Cl)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2Cl)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C20H21ClN2S/c21-18-8-3-1-7-16(18)20(23-12-5-10-22-11-13-23)17-14-24-19-9-4-2-6-15(17)19/h1-4,6-9,14,20,22H,5,10-13H2