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

Systemtic Name: [4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(3-bromo-4-ethoxy-5-methoxy-benzoyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[(3-bromo-4-ethoxy-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(3-bromo-4-ethoxy-5-methoxy-benzoyl)piperazino]-phenyl-methanone Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4/c1-3-28-19-17(22)13-16(14-18(19)27-2)21(26)24-11-9-23(10-12-24)20(25)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3