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

Systemtic Name: 1-benzothiophen-2-yl-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-(4-benzyl-1,4-diazepan-1-yl)methanone CAS Name: 1-benzothiophen-2-yl-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-(4-benzyl-1,4-diazepan-1-yl)methanone Traditional Name: benzothiophen-2-yl-(4-benzyl-1,4-diazepan-1-yl)methanone Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c24-21(20-15-18-9-4-5-10-19(18)25-20)23-12-6-11-22(13-14-23)16-17-7-2-1-3-8-17/h1-5,7-10,15H,6,11-14,16H2