N-phenethyl-2-[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-phenethyl-2-[4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbonyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-2-[4-[2-(4-pyridyl)thiazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[oxo-(2-pyridin-4-yl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[2-(4-pyridyl)thiazole-4-carbonyl]-1,4-diazepan-1-yl]acetamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=CC=NC=C3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CSC(=N2)C3=CC=NC=C3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c30-22(26-12-7-19-5-2-1-3-6-19)17-28-13-4-14-29(16-15-28)24(31)21-18-32-23(27-21)20-8-10-25-11-9-20/h1-3,5-6,8-11,18H,4,7,12-17H2,(H,26,30)