[2-(4-methylphenyl)-1,3-thiazol-4-yl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCCCCC3C4=CC=CN4C

InChI

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