3-bromanyl-4-ethoxy-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]benzamide Formula: C28H30BrN3O3 MolecularWeight: 536.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OCC)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OCC)Br

InChI

InChI=1S/C28H30BrN3O3/c1-3-20-5-7-21(8-6-20)28(34)32-17-15-31(16-18-32)24-12-10-23(11-13-24)30-27(33)22-9-14-26(35-4-2)25(29)19-22/h5-14,19H,3-4,15-18H2,1-2H3,(H,30,33)