6,7-bis(chloranyl)-3-(2-phenylpyrazol-3-yl)-N-(4-pyrrolidin-1-ylbutyl)quinoxalin-2-amine

Systemtic Name: 6,7-bis(chloranyl)-3-(2-phenylpyrazol-3-yl)-N-(4-pyrrolidin-1-ylbutyl)quinoxalin-2-amine Openeye Name: 6,7-dichloro-3-(2-phenylpyrazol-3-yl)-N-(4-pyrrolidin-1-ylbutyl)quinoxalin-2-amine CAS Name: 6,7-dichloro-3-(2-phenyl-3-pyrazolyl)-N-[4-(1-pyrrolidinyl)butyl]-2-quinoxalinamine IUPAC Name: 6,7-dichloro-3-(2-phenylpyrazol-3-yl)-N-(4-pyrrolidin-1-ylbutyl)quinoxalin-2-amine Traditional Name: [6,7-dichloro-3-(2-phenylpyrazol-3-yl)quinoxalin-2-yl]-(4-pyrrolidinobutyl)amine Formula: C25H26Cl2N6 MolecularWeight: 481.42014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCNC2=NC3=CC(=C(C=C3N=C2C4=CC=NN4C5=CC=CC=C5)Cl)Cl

Isomeric SMILES

C1CCN(C1)CCCCNC2=NC3=CC(=C(C=C3N=C2C4=CC=NN4C5=CC=CC=C5)Cl)Cl

InChI

InChI=1S/C25H26Cl2N6/c26-19-16-21-22(17-20(19)27)31-25(28-11-4-5-13-32-14-6-7-15-32)24(30-21)23-10-12-29-33(23)18-8-2-1-3-9-18/h1-3,8-10,12,16-17H,4-7,11,13-15H2,(H,28,31)