2-(4-bromanylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[1-[(3,4-diethoxyphenyl)methyl]-4-pyrazolyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[1-(3,4-diethoxybenzyl)pyrazol-4-yl]butyramide Formula: C21H26BrN5O3 MolecularWeight: 476.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CN(N=C1)CC2=CC(=C(C=C2)OCC)OCC)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CN(N=C1)CC2=CC(=C(C=C2)OCC)OCC)N3C=C(C=N3)Br

InChI

InChI=1S/C21H26BrN5O3/c1-4-18(27-13-16(22)10-24-27)21(28)25-17-11-23-26(14-17)12-15-7-8-19(29-5-2)20(9-15)30-6-3/h7-11,13-14,18H,4-6,12H2,1-3H3,(H,25,28)