(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(2-phenoxyethyl)azepan-1-yl]methanone

Systemtic Name: (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(2-phenoxyethyl)azepan-1-yl]methanone Openeye Name: (2-methyl-5-phenyl-thiazol-4-yl)-[2-(2-phenoxyethyl)azepan-1-yl]methanone CAS Name: (2-methyl-5-phenyl-4-thiazolyl)-[2-(2-phenoxyethyl)-1-azepanyl]methanone IUPAC Name: (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(2-phenoxyethyl)azepan-1-yl]methanone Traditional Name: (2-methyl-5-phenyl-thiazol-4-yl)-[2-(2-phenoxyethyl)azepan-1-yl]methanone Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3CCCCCC3CCOC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3CCCCCC3CCOC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-19-26-23(24(30-19)20-11-5-2-6-12-20)25(28)27-17-10-4-7-13-21(27)16-18-29-22-14-8-3-9-15-22/h2-3,5-6,8-9,11-12,14-15,21H,4,7,10,13,16-18H2,1H3