[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[2-[(4-methoxyphenyl)amino]phenyl]methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[2-[(4-methoxyphenyl)amino]phenyl]methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[2-(4-methoxyanilino)phenyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[2-(p-anisidino)phenyl]methanone Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

InChI

InChI=1S/C22H22BrN5O2/c1-30-18-8-6-17(7-9-18)26-20-5-3-2-4-19(20)21(29)27-10-12-28(13-11-27)22-24-14-16(23)15-25-22/h2-9,14-15,26H,10-13H2,1H3