N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-amine

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-amine Openeye Name: 3-(4-benzylpiperazin-1-yl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)quinoxalin-2-amine CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinamine IUPAC Name: 3-(4-benzylpiperazin-1-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoxalin-2-amine Traditional Name: [3-(4-benzylpiperazino)quinoxalin-2-yl]-(5-methyl-2-phenyl-pyrazol-3-yl)amine Formula: C29H29N7 MolecularWeight: 475.58746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C(=C1)NC2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H29N7/c1-22-20-27(36(33-22)24-12-6-3-7-13-24)32-28-29(31-26-15-9-8-14-25(26)30-28)35-18-16-34(17-19-35)21-23-10-4-2-5-11-23/h2-15,20H,16-19,21H2,1H3,(H,30,32)