4-bromanyl-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-propyl]benzamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H26BrN3O2/c1-16-4-3-5-20(17(16)2)25-12-14-26(15-13-25)21(27)10-11-24-22(28)18-6-8-19(23)9-7-18/h3-9H,10-15H2,1-2H3,(H,24,28)