4-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloranyl-phenyl]-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloranyl-phenyl]-1,4-diazepane-1-carboxylic acid Openeye Name: 4-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloro-phenyl]-1,4-diazepane-1-carboxylic acid CAS Name: 4-[3-[[2-(1-adamantyl)ethylamino]-oxomethyl]-4-chlorophenyl]-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chlorophenyl]-1,4-diazepane-1-carboxylic acid Traditional Name: 4-[3-[2-(1-adamantyl)ethylcarbamoyl]-4-chloro-phenyl]-1,4-diazepane-1-carboxylic acid Formula: C25H34ClN3O3 MolecularWeight: 460.00876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)O)C2=CC(=C(C=C2)Cl)C(=O)NCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)O)C2=CC(=C(C=C2)Cl)C(=O)NCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34ClN3O3/c26-22-3-2-20(28-6-1-7-29(9-8-28)24(31)32)13-21(22)23(30)27-5-4-25-14-17-10-18(15-25)12-19(11-17)16-25/h2-3,13,17-19H,1,4-12,14-16H2,(H,27,30)(H,31,32)