N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-bromo-2-methoxy-phenyl)prop-2-enamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-(5-bromo-2-methoxyphenyl)-2-propenamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-bromo-2-methoxyphenyl)prop-2-enamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(5-bromo-2-methoxy-phenyl)acrylamide Formula: C20H17BrN6O2 MolecularWeight: 453.29198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN6O2/c1-29-19-8-7-15(21)10-14(19)6-9-20(28)23-16-11-22-26(12-16)13-27-18-5-3-2-4-17(18)24-25-27/h2-12H,13H2,1H3,(H,23,28)