tert-butyl 4-[1-[4-(4-cyanophenyl)phenyl]-3-methanoyl-indol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[4-(4-cyanophenyl)phenyl]-3-methanoyl-indol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-[4-(4-cyanophenyl)phenyl]-3-formyl-indol-2-yl]piperazine-1-carboxylate CAS Name: 4-[1-[4-(4-cyanophenyl)phenyl]-3-formyl-2-indolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[4-(4-cyanophenyl)phenyl]-3-formylindol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-[4-(4-cyanophenyl)phenyl]-3-formyl-indol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C3=CC=CC=C3N2C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)C=O

InChI

InChI=1S/C31H30N4O3/c1-31(2,3)38-30(37)34-18-16-33(17-19-34)29-27(21-36)26-6-4-5-7-28(26)35(29)25-14-12-24(13-15-25)23-10-8-22(20-32)9-11-23/h4-15,21H,16-19H2,1-3H3