N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]anthracene-2-carboxamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]anthracene-2-carboxamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]anthracene-2-carboxamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-anthracenecarboxamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]anthracene-2-carboxamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]anthracene-2-carboxamide Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC2=CC3=CC=CC=C3C=C2C=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CC2=CC3=CC=CC=C3C=C2C=C1

InChI

InChI=1S/C23H23N3O2/c1-15(2)11-21(23(28)25-10-9-24)26-22(27)19-8-7-18-12-16-5-3-4-6-17(16)13-20(18)14-19/h3-8,12-15,21H,10-11H2,1-2H3,(H,25,28)(H,26,27)/t21-/m0/s1