N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxidanylidene-ethyl]-4-methyl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxidanylidene-ethyl]-4-methyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxo-ethyl]-4-methyl-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(methylamino)ethyl]-4-methyl-benzamide Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(=O)NC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C(=O)NC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O2/c1-13-3-5-17(6-4-13)19(24)23-18(20(25)22-2)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,18H,7-12H2,1-2H3,(H,22,25)(H,23,24)/t14?,15?,16?,18-,21?/m1/s1