N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]quinoxaline-2-carboxamide CAS Name: N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]quinoxaline-2-carboxamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H29N5OS/c1-20(29-27(33)24-18-28-22-10-5-6-11-23(22)30-24)26(25-12-7-17-34-25)32-15-13-31(14-16-32)19-21-8-3-2-4-9-21/h2-12,17-18,20,26H,13-16,19H2,1H3,(H,29,33)