N-[3-methyl-1-oxidanylidene-1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide Openeye Name: N-[2-methyl-1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoyl]propyl]cyclohexanecarboxamide CAS Name: N-[3-methyl-1-oxo-1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]cyclohexanecarboxamide Traditional Name: N-[2-methyl-1-[[4-(1,2,4-triazol-1-ylmethyl)benzyl]carbamoyl]propyl]cyclohexanecarboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN2C=NC=N2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=C(C=C1)CN2C=NC=N2)NC(=O)C3CCCCC3

InChI

InChI=1S/C22H31N5O2/c1-16(2)20(26-21(28)19-6-4-3-5-7-19)22(29)24-12-17-8-10-18(11-9-17)13-27-15-23-14-25-27/h8-11,14-16,19-20H,3-7,12-13H2,1-2H3,(H,24,29)(H,26,28)