3-methyl-2-(phenylcarbamoylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide

Systemtic Name: 3-methyl-2-(phenylcarbamoylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Openeye Name: 3-methyl-2-(phenylcarbamoylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-3-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide IUPAC Name: 3-methyl-2-(phenylcarbamoylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide Traditional Name: 3-methyl-2-(phenylcarbamoylamino)-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]butyramide Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1CN2C=NC=N2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC=C1CN2C=NC=N2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N6O2/c1-16(2)20(27-22(30)26-19-10-4-3-5-11-19)21(29)24-12-17-8-6-7-9-18(17)13-28-15-23-14-25-28/h3-11,14-16,20H,12-13H2,1-2H3,(H,24,29)(H2,26,27,30)