ethyl 2-[[5-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonylpiperazin-1-yl]pyrazin-2-yl]carbonyl-(phenylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[5-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonylpiperazin-1-yl]pyrazin-2-yl]carbonyl-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl-[5-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)piperazin-1-yl]pyrazine-2-carbonyl]amino]acetate CAS Name: 2-[[[5-[4-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-1-piperazinyl]-2-pyrazinyl]-oxomethyl]-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-[5-[4-(1,5-dimethyl-2-phenylindole-3-carbonyl)piperazin-1-yl]pyrazine-2-carbonyl]amino]acetate Traditional Name: 2-[benzyl-[5-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)piperazino]pyrazinoyl]amino]acetic acid ethyl ester Formula: C37H38N6O4 MolecularWeight: 630.73542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)C2=CN=C(C=N2)N3CCN(CC3)C(=O)C4=C(N(C5=C4C=C(C=C5)C)C)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)C2=CN=C(C=N2)N3CCN(CC3)C(=O)C4=C(N(C5=C4C=C(C=C5)C)C)C6=CC=CC=C6

InChI

InChI=1S/C37H38N6O4/c1-4-47-33(44)25-43(24-27-11-7-5-8-12-27)36(45)30-22-39-32(23-38-30)41-17-19-42(20-18-41)37(46)34-29-21-26(2)15-16-31(29)40(3)35(34)28-13-9-6-10-14-28/h5-16,21-23H,4,17-20,24-25H2,1-3H3