(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(1-phenyltetrazol-5-yl)piperazino]methanone Formula: C21H23BrN6O3 MolecularWeight: 487.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C21H23BrN6O3/c1-3-31-19-17(22)13-15(14-18(19)30-2)20(29)26-9-11-27(12-10-26)21-23-24-25-28(21)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3