N-[(2S)-1-(cyclohexylmethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]benzotriazole-1-carboxamide

Systemtic Name: N-[(2S)-1-(cyclohexylmethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]benzotriazole-1-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethylcarbamoyl)-3-methyl-butyl]benzotriazole-1-carboxamide CAS Name: N-[(2S)-1-(cyclohexylmethylamino)-4-methyl-1-oxopentan-2-yl]-1-benzotriazolecarboxamide IUPAC Name: N-[(2S)-1-(cyclohexylmethylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethylcarbamoyl)-3-methyl-butyl]benzotriazole-1-carboxamide Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1CCCCC1)NC(=O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1CCCCC1)NC(=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H29N5O2/c1-14(2)12-17(19(26)21-13-15-8-4-3-5-9-15)22-20(27)25-18-11-7-6-10-16(18)23-24-25/h6-7,10-11,14-15,17H,3-5,8-9,12-13H2,1-2H3,(H,21,26)(H,22,27)/t17-/m0/s1