7-[1-oxidanyl-2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-[1-oxidanyl-2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-[1-hydroxy-2-[4-hydroxy-4-(2-thienyl)-1-piperidyl]ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[1-hydroxy-2-(4-hydroxy-4-thiophen-2-yl-1-piperidinyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-[1-hydroxy-2-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-[1-hydroxy-2-[4-hydroxy-4-(2-thienyl)piperidino]ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(CN3CCC(CC3)(C4=CC=CS4)O)O)NC(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(CN3CCC(CC3)(C4=CC=CS4)O)O)NC(=O)C1

InChI

InChI=1S/C21H26N2O3S/c24-18(16-6-7-17-15(13-16)3-1-5-20(25)22-17)14-23-10-8-21(26,9-11-23)19-4-2-12-27-19/h2,4,6-7,12-13,18,24,26H,1,3,5,8-11,14H2,(H,22,25)