4-[4-(2-azanyl-3-phenyl-propanoyl)-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-2-yl]-3-quinoxalin-2-yl-piperazin-2-one

Systemtic Name: 4-[4-(2-azanyl-3-phenyl-propanoyl)-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-2-yl]-3-quinoxalin-2-yl-piperazin-2-one Openeye Name: 4-[4-(2-amino-3-phenyl-propanoyl)-3-(oxomethylene)-1-(4-pyridyl)piperazin-2-yl]-3-quinoxalin-2-yl-piperazin-2-one CAS Name: 4-[4-(2-amino-1-oxo-3-phenylpropyl)-3-(oxomethylidene)-1-pyridin-4-yl-2-piperazinyl]-3-(2-quinoxalinyl)-2-piperazinone IUPAC Name: 4-[4-(2-amino-3-phenylpropanoyl)-3-(oxomethylidene)-1-pyridin-4-ylpiperazin-2-yl]-3-quinoxalin-2-ylpiperazin-2-one Traditional Name: 4-[3-(ketomethylene)-4-phenylalanyl-1-(4-pyridyl)piperazin-2-yl]-3-quinoxalin-2-yl-piperazin-2-one Formula: C31H30N8O3 MolecularWeight: 562.6217

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=NC3=CC=CC=C3N=C2)C4C(=C=O)N(CCN4C5=CC=NC=C5)C(=O)C(CC6=CC=CC=C6)N

Isomeric SMILES

C1CN(C(C(=O)N1)C2=NC3=CC=CC=C3N=C2)C4C(=C=O)N(CCN4C5=CC=NC=C5)C(=O)C(CC6=CC=CC=C6)N

InChI

InChI=1S/C31H30N8O3/c32-23(18-21-6-2-1-3-7-21)31(42)38-17-16-37(22-10-12-33-13-11-22)30(27(38)20-40)39-15-14-34-29(41)28(39)26-19-35-24-8-4-5-9-25(24)36-26/h1-13,19,23,28,30H,14-18,32H2,(H,34,41)