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

Systemtic Name: 1-benzothiophen-2-yl-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)CC4=CN=CC=C4

InChI

InChI=1S/C20H21N3OS/c24-20(19-13-17-6-1-2-7-18(17)25-19)23-10-4-9-22(11-12-23)15-16-5-3-8-21-14-16/h1-3,5-8,13-14H,4,9-12,15H2