N-[(2S)-1-[(4-butylphenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(4-butylphenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-(4-butylanilino)-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(4-butylanilino)-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(4-butylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-(4-butylanilino)-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H34N2O2/c1-3-4-5-17-6-8-21(9-7-17)26-22(27)16(2)25-23(28)24-13-18-10-19(14-24)12-20(11-18)15-24/h6-9,16,18-20H,3-5,10-15H2,1-2H3,(H,25,28)(H,26,27)/t16-,18?,19?,20?,24?/m0/s1