N-[3-[6,7-bis(chloranyl)-2,3-dimethoxy-quinoxalin-5-yl]-3-pyrazol-1-yl-propyl]-2-methyl-butan-2-amine

Systemtic Name: N-[3-[6,7-bis(chloranyl)-2,3-dimethoxy-quinoxalin-5-yl]-3-pyrazol-1-yl-propyl]-2-methyl-butan-2-amine Openeye Name: N-[3-(6,7-dichloro-2,3-dimethoxy-quinoxalin-5-yl)-3-pyrazol-1-yl-propyl]-2-methyl-butan-2-amine CAS Name: N-[3-(6,7-dichloro-2,3-dimethoxy-5-quinoxalinyl)-3-(1-pyrazolyl)propyl]-2-methyl-2-butanamine IUPAC Name: N-[3-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-3-pyrazol-1-ylpropyl]-2-methylbutan-2-amine Traditional Name: tert-amyl-[3-(6,7-dichloro-2,3-dimethoxy-quinoxalin-5-yl)-3-pyrazol-1-yl-propyl]amine Formula: C21H27Cl2N5O2 MolecularWeight: 452.37738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCCC(C1=C2C(=CC(=C1Cl)Cl)N=C(C(=N2)OC)OC)N3C=CC=N3

Isomeric SMILES

CCC(C)(C)NCCC(C1=C2C(=CC(=C1Cl)Cl)N=C(C(=N2)OC)OC)N3C=CC=N3

InChI

InChI=1S/C21H27Cl2N5O2/c1-6-21(2,3)24-10-8-15(28-11-7-9-25-28)16-17(23)13(22)12-14-18(16)27-20(30-5)19(26-14)29-4/h7,9,11-12,15,24H,6,8,10H2,1-5H3