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

Systemtic Name: [4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazino]-phenyl-methanone Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4/c1-3-13-29-20-18(23)14-17(15-19(20)28-2)22(27)25-11-9-24(10-12-25)21(26)16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3