N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4O2/c1-13(20-25-17-4-2-3-5-18(17)26-20)24-19(27)12-23-21(28)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H,23,28)(H,24,27)(H,25,26)/t13-,14?,15?,16?,22?/m0/s1