ethyl 4-[(S)-(1-oxidanidyl-2-phenyl-indol-3-yl)-pyridin-2-yl-methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(S)-(1-oxidanidyl-2-phenyl-indol-3-yl)-pyridin-2-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(S)-(1-oxido-2-phenyl-indol-3-yl)-(2-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(S)-(1-oxido-2-phenyl-3-indolyl)-(2-pyridinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(S)-(1-oxido-2-phenylindol-3-yl)-pyridin-2-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(S)-(1-oxido-2-phenyl-indol-3-yl)-(2-pyridyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H27N4O3- MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=CC=N2)C3=C(N(C4=CC=CC=C43)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H](C2=CC=CC=N2)C3=C(N(C4=CC=CC=C43)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H27N4O3/c1-2-34-27(32)30-18-16-29(17-19-30)26(22-13-8-9-15-28-22)24-21-12-6-7-14-23(21)31(33)25(24)20-10-4-3-5-11-20/h3-15,26H,2,16-19H2,1H3/q-1/t26-/m1/s1