1-cycloheptyl-3-[2-(1,2,4-triazol-1-yl)phenyl]urea

Systemtic Name: 1-cycloheptyl-3-[2-(1,2,4-triazol-1-yl)phenyl]urea Openeye Name: 1-cycloheptyl-3-[2-(1,2,4-triazol-1-yl)phenyl]urea CAS Name: 1-cycloheptyl-3-[2-(1,2,4-triazol-1-yl)phenyl]urea IUPAC Name: 1-cycloheptyl-3-[2-(1,2,4-triazol-1-yl)phenyl]urea Traditional Name: 1-cycloheptyl-3-[2-(1,2,4-triazol-1-yl)phenyl]urea Formula: C16H21N5O MolecularWeight: 299.37084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)NC2=CC=CC=C2N3C=NC=N3

Isomeric SMILES

C1CCCC(CC1)NC(=O)NC2=CC=CC=C2N3C=NC=N3

InChI

InChI=1S/C16H21N5O/c22-16(19-13-7-3-1-2-4-8-13)20-14-9-5-6-10-15(14)21-12-17-11-18-21/h5-6,9-13H,1-4,7-8H2,(H2,19,20,22)