5-bromanyl-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]-2-methoxy-3-methyl-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(=CC(=C4OC)C)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4OC)C)Br

InChI

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