1-(4-bromophenyl)-2-(3-methyl-2-oxidanylidene-pyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione

Systemtic Name: 1-(4-bromophenyl)-2-(3-methyl-2-oxidanylidene-pyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione Openeye Name: 1-(4-bromophenyl)-2-(3-methyl-2-oxo-1-pyridyl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione CAS Name: 1-(4-bromophenyl)-2-(3-methyl-2-oxo-1-pyridinyl)-3-(4-phenyl-1-piperazinyl)propane-1,3-dione IUPAC Name: 1-(4-bromophenyl)-2-(3-methyl-2-oxopyridin-1-yl)-3-(4-phenylpiperazin-1-yl)propane-1,3-dione Traditional Name: 1-(4-bromophenyl)-2-(2-keto-3-methyl-1-pyridyl)-3-(4-phenylpiperazino)propane-1,3-dione Formula: C25H24BrN3O3 MolecularWeight: 494.38036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN(C1=O)C(C(=O)C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CN(C1=O)C(C(=O)C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H24BrN3O3/c1-18-6-5-13-29(24(18)31)22(23(30)19-9-11-20(26)12-10-19)25(32)28-16-14-27(15-17-28)21-7-3-2-4-8-21/h2-13,22H,14-17H2,1H3