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

Systemtic Name: 1-benzothiophen-2-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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