1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-chloranyl-2-methoxy-phenyl)urea

Systemtic Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-chloranyl-2-methoxy-phenyl)urea Openeye Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-chloro-2-methoxy-phenyl)urea CAS Name: 1-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-(5-chloro-2-methoxyphenyl)urea IUPAC Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-chloro-2-methoxyphenyl)urea Traditional Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-chloro-2-methoxy-phenyl)urea Formula: C18H16ClN7O2 MolecularWeight: 397.81834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H16ClN7O2/c1-28-17-7-6-12(19)8-15(17)22-18(27)21-13-9-20-25(10-13)11-26-16-5-3-2-4-14(16)23-24-26/h2-10H,11H2,1H3,(H2,21,22,27)