N-[(1S)-1-(1-adamantyl)-2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-3,5-dimethoxy-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(2-dimethylaminoethylamino)-2-oxo-ethyl]-3,5-dimethoxy-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(2-dimethylaminoethylamino)-2-oxoethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(2-dimethylaminoethylamino)-2-oxoethyl]-3,5-dimethoxybenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-(2-dimethylaminoethylamino)-2-keto-ethyl]-3,5-dimethoxy-benzamide Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CN(C)CCNC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C25H37N3O4/c1-28(2)6-5-26-24(30)22(25-13-16-7-17(14-25)9-18(8-16)15-25)27-23(29)19-10-20(31-3)12-21(11-19)32-4/h10-12,16-18,22H,5-9,13-15H2,1-4H3,(H,26,30)(H,27,29)/t16?,17?,18?,22-,25?/m1/s1