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2-[(4-quinoxalin-2-yl-1,4-diazepan-1-yl)carbonylamino]benzoic acid

2-[(4-quinoxalin-2-yl-1,4-diazepan-1-yl)carbonylamino]benzoic acid

Systemtic Name:2-[(4-quinoxalin-2-yl-1,4-diazepan-1-yl)carbonylamino]benzoic acid
Openeye Name:2-[(4-quinoxalin-2-yl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CAS Name:2-[[oxo-[4-(2-quinoxalinyl)-1,4-diazepan-1-yl]methyl]amino]benzoic acid
IUPAC Name:2-[(4-quinoxalin-2-yl-1,4-diazepane-1-carbonyl)amino]benzoic acid
Traditional Name:2-[(4-quinoxalin-2-yl-1,4-diazepane-1-carbonyl)amino]benzoic acid
Formula: C21H21N5O3
MolecularWeight: 391.42314
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=NC4=CC=CC=C4N=C3


Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C(=O)O)C3=NC4=CC=CC=C4N=C3


InChI

InChI=1S/C21H21N5O3/c27-20(28)15-6-1-2-7-16(15)24-21(29)26-11-5-10-25(12-13-26)19-14-22-17-8-3-4-9-18(17)23-19/h1-4,6-9,14H,5,10-13H2,(H,24,29)(H,27,28)


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