N-[(1R)-1-(1-adamantyl)ethyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C(=C4)Cl)OCCCO5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C(=C4)Cl)OCCCO5

InChI

InChI=1S/C22H28ClNO3/c1-13(22-10-14-5-15(11-22)7-16(6-14)12-22)24-21(25)17-8-18(23)20-19(9-17)26-3-2-4-27-20/h8-9,13-16H,2-7,10-12H2,1H3,(H,24,25)/t13-,14?,15?,16?,22?/m1/s1