1-[4-(2,2-diphenylethanoyl)-3-methyl-piperazin-1-yl]-2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-[4-(2,2-diphenylethanoyl)-3-methyl-piperazin-1-yl]-2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]butan-1-one Openeye Name: 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[4-(2,2-diphenylacetyl)-3-methyl-piperazin-1-yl]butan-1-one CAS Name: 1-[3-methyl-4-(1-oxo-2,2-diphenylethyl)-1-piperazinyl]-2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-butanone IUPAC Name: 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[4-(2,2-diphenylacetyl)-3-methylpiperazin-1-yl]butan-1-one Traditional Name: 2-[(5-benzyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-1-[4-(2,2-diphenylacetyl)-3-methyl-piperazino]butan-1-one Formula: C39H38N6O2S MolecularWeight: 654.82302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(C(C1)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=NC5=C(C6=CC=CC=C6N5CC7=CC=CC=C7)N=N4

Isomeric SMILES

CCC(C(=O)N1CCN(C(C1)C)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=NC5=C(C6=CC=CC=C6N5CC7=CC=CC=C7)N=N4

InChI

InChI=1S/C39H38N6O2S/c1-3-33(48-39-40-36-35(41-42-39)31-21-13-14-22-32(31)45(36)26-28-15-7-4-8-16-28)37(46)43-23-24-44(27(2)25-43)38(47)34(29-17-9-5-10-18-29)30-19-11-6-12-20-30/h4-22,27,33-34H,3,23-26H2,1-2H3