1-(azepan-1-yl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-[4-(p-tolyl)thiazol-2-yl]pyrrol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[2-[4-(4-methylphenyl)-2-thiazolyl]-1-pyrrolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-[4-(p-tolyl)thiazol-2-yl]pyrrol-1-yl]ethanone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CN3CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=CN3CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3OS/c1-17-8-10-18(11-9-17)19-16-27-22(23-19)20-7-6-14-25(20)15-21(26)24-12-4-2-3-5-13-24/h6-11,14,16H,2-5,12-13,15H2,1H3