N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclohexene-1-carboxamide

Systemtic Name: N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclohexene-1-carboxamide Openeye Name: N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]cyclohexene-1-carboxamide CAS Name: N-[2-[2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-cyclohexenecarboxamide IUPAC Name: N-[2-(2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]cyclohexene-1-carboxamide Traditional Name: N-[2-[2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]cyclohexene-1-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

Isomeric SMILES

C1CCC(=CC1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CSC=C4

InChI

InChI=1S/C22H26N2O2S/c25-22(17-6-2-1-3-7-17)23-11-12-24-14-18-8-4-5-9-20(18)26-21(15-24)19-10-13-27-16-19/h4-6,8-10,13,16,21H,1-3,7,11-12,14-15H2,(H,23,25)