5-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-3-piperazin-1-yl-N-(pyrimidin-2-ylmethyl)pyrazine-2-carboxamide

Systemtic Name: 5-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-3-piperazin-1-yl-N-(pyrimidin-2-ylmethyl)pyrazine-2-carboxamide Openeye Name: 5-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-3-piperazin-1-yl-N-(pyrimidin-2-ylmethyl)pyrazine-2-carboxamide CAS Name: 5-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-3-(1-piperazinyl)-N-(2-pyrimidinylmethyl)-2-pyrazinecarboxamide IUPAC Name: 5-(1,5-dimethyl-2-phenylindole-3-carbonyl)-3-piperazin-1-yl-N-(pyrimidin-2-ylmethyl)pyrazine-2-carboxamide Traditional Name: 5-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-3-piperazino-N-(2-pyrimidylmethyl)pyrazinamide Formula: C31H30N8O2 MolecularWeight: 546.6223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=CN=C(C(=N3)N4CCNCC4)C(=O)NCC5=NC=CC=N5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3=CN=C(C(=N3)N4CCNCC4)C(=O)NCC5=NC=CC=N5)C6=CC=CC=C6)C

InChI

InChI=1S/C31H30N8O2/c1-20-9-10-24-22(17-20)26(28(38(24)2)21-7-4-3-5-8-21)29(40)23-18-35-27(30(37-23)39-15-13-32-14-16-39)31(41)36-19-25-33-11-6-12-34-25/h3-12,17-18,32H,13-16,19H2,1-2H3,(H,36,41)