[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-yl-2-thienyl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(1-pyrrolyl)-2-thiophenyl]methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-(3-pyrrol-1-yl-2-thienyl)methanone Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CS2)N3C=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CS2)N3C=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3OS/c22-18-6-4-17(5-7-18)16-23-9-3-12-25(14-13-23)21(26)20-19(8-15-27-20)24-10-1-2-11-24/h1-2,4-8,10-11,15H,3,9,12-14,16H2