3-phenyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]prop-2-yn-1-one

Systemtic Name: 3-phenyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]prop-2-yn-1-one Openeye Name: 3-phenyl-1-(4-thiazol-2-yl-1,4-diazepan-1-yl)prop-2-yn-1-one CAS Name: 3-phenyl-1-[4-(2-thiazolyl)-1,4-diazepan-1-yl]-2-propyn-1-one IUPAC Name: 3-phenyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]prop-2-yn-1-one Traditional Name: 3-phenyl-1-(4-thiazol-2-yl-1,4-diazepan-1-yl)prop-2-yn-1-one Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C#CC2=CC=CC=C2)C3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C#CC2=CC=CC=C2)C3=NC=CS3

InChI

InChI=1S/C17H17N3OS/c21-16(8-7-15-5-2-1-3-6-15)19-10-4-11-20(13-12-19)17-18-9-14-22-17/h1-3,5-6,9,14H,4,10-13H2