5-butyl-4-methyl-1-[4-phenyl-3-(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)phenyl]pyrazole-3-carboxylate

Systemtic Name: 5-butyl-4-methyl-1-[4-phenyl-3-(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)phenyl]pyrazole-3-carboxylate Openeye Name: 5-butyl-1-[3-(1-isopropyltetrazol-5-yl)-4-phenyl-phenyl]-4-methyl-pyrazole-3-carboxylate CAS Name: 5-butyl-4-methyl-1-[4-phenyl-3-(1-propan-2-yl-5-tetrazolyl)phenyl]-3-pyrazolecarboxylate IUPAC Name: 5-butyl-4-methyl-1-[4-phenyl-3-(1-propan-2-yltetrazol-5-yl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-1-[3-(1-isopropyltetrazol-5-yl)-4-phenyl-phenyl]-4-methyl-pyrazole-3-carboxylate Formula: C25H27N6O2- MolecularWeight: 443.52088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NN=NN4C(C)C)C(=O)[O-])C

Isomeric SMILES

CCCCC1=C(C(=NN1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NN=NN4C(C)C)C(=O)[O-])C

InChI

InChI=1S/C25H28N6O2/c1-5-6-12-22-17(4)23(25(32)33)27-31(22)19-13-14-20(18-10-8-7-9-11-18)21(15-19)24-26-28-29-30(24)16(2)3/h7-11,13-16H,5-6,12H2,1-4H3,(H,32,33)/p-1