1-[[4-[(5-azanylpyridin-2-yl)amino]phenyl]methyl]-4-(phenylmethyl)piperazine-2,3-dione

Systemtic Name: 1-[[4-[(5-azanylpyridin-2-yl)amino]phenyl]methyl]-4-(phenylmethyl)piperazine-2,3-dione Openeye Name: 1-[[4-[(5-amino-2-pyridyl)amino]phenyl]methyl]-4-benzyl-piperazine-2,3-dione CAS Name: 1-[[4-[(5-amino-2-pyridinyl)amino]phenyl]methyl]-4-(phenylmethyl)piperazine-2,3-dione IUPAC Name: 1-[[4-[(5-aminopyridin-2-yl)amino]phenyl]methyl]-4-benzylpiperazine-2,3-dione Traditional Name: 1-[4-[(5-amino-2-pyridyl)amino]benzyl]-4-benzyl-piperazine-2,3-quinone Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC=C(C=C4)N

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC=C(C=C4)N

InChI

InChI=1S/C23H23N5O2/c24-19-8-11-21(25-14-19)26-20-9-6-18(7-10-20)16-28-13-12-27(22(29)23(28)30)15-17-4-2-1-3-5-17/h1-11,14H,12-13,15-16,24H2,(H,25,26)