4-[[4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C23H26BrN3O3 MolecularWeight: 472.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C23H26BrN3O3/c1-3-12-30-22-20(24)13-19(14-21(22)29-2)23(28)27-10-8-26(9-11-27)16-18-6-4-17(15-25)5-7-18/h4-7,13-14H,3,8-12,16H2,1-2H3