1-(1-phenylbutyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(1-phenylbutyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(1-phenylbutyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(1-phenylbutyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea IUPAC Name: 1-(1-phenylbutyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(1-phenylbutyl)-3-[4-(1,2,4-triazol-1-ylmethyl)benzyl]urea Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C21H25N5O/c1-2-6-20(19-7-4-3-5-8-19)25-21(27)23-13-17-9-11-18(12-10-17)14-26-16-22-15-24-26/h3-5,7-12,15-16,20H,2,6,13-14H2,1H3,(H2,23,25,27)