2-[4-[2-(3-bromophenyl)pyrimidin-4-yl]piperazin-1-yl]-3-methyl-naphthalene-1,4-dione

Systemtic Name: 2-[4-[2-(3-bromophenyl)pyrimidin-4-yl]piperazin-1-yl]-3-methyl-naphthalene-1,4-dione Openeye Name: 2-[4-[2-(3-bromophenyl)pyrimidin-4-yl]piperazin-1-yl]-3-methyl-naphthalene-1,4-dione CAS Name: 2-[4-[2-(3-bromophenyl)-4-pyrimidinyl]-1-piperazinyl]-3-methylnaphthalene-1,4-dione IUPAC Name: 2-[4-[2-(3-bromophenyl)pyrimidin-4-yl]piperazin-1-yl]-3-methylnaphthalene-1,4-dione Traditional Name: 2-[4-[2-(3-bromophenyl)pyrimidin-4-yl]piperazino]-3-methyl-1,4-naphthoquinone Formula: C25H21BrN4O2 MolecularWeight: 489.36384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=NC(=NC=C4)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)N3CCN(CC3)C4=NC(=NC=C4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H21BrN4O2/c1-16-22(24(32)20-8-3-2-7-19(20)23(16)31)30-13-11-29(12-14-30)21-9-10-27-25(28-21)17-5-4-6-18(26)15-17/h2-10,15H,11-14H2,1H3