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

Systemtic Name: (4-fluoranyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(4-fluorobenzothiophen-2-yl)methanone CAS Name: (4-fluoro-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(4-fluorobenzothiophen-2-yl)methanone Formula: C21H21FN2OS MolecularWeight: 368.467643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2OS/c22-18-8-4-9-19-17(18)14-20(26-19)21(25)24-11-5-10-23(12-13-24)15-16-6-2-1-3-7-16/h1-4,6-9,14H,5,10-13,15H2