ethyl 3-[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[oxo-(1-phenyl-5-propyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(1-phenyl-5-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)C4=NC5=CC=CC=C5N=C4C(=O)OCC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)C4=NC5=CC=CC=C5N=C4C(=O)OCC

InChI

InChI=1S/C29H32N6O3/c1-3-11-25-22(20-30-35(25)21-12-6-5-7-13-21)28(36)34-17-10-16-33(18-19-34)27-26(29(37)38-4-2)31-23-14-8-9-15-24(23)32-27/h5-9,12-15,20H,3-4,10-11,16-19H2,1-2H3