N-[(2R)-1-[(3-cyanophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-1-[(3-cyanophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-1-[(3-cyanophenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-1-[(3-cyanophenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C23H29N3O2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=CC(=C1)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29N3O2/c1-14(2)20(21(27)25-19-5-3-4-15(9-19)13-24)26-22(28)23-10-16-6-17(11-23)8-18(7-16)12-23/h3-5,9,14,16-18,20H,6-8,10-12H2,1-2H3,(H,25,27)(H,26,28)/t16?,17?,18?,20-,23?/m1/s1