tert-butyl 4-[(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]pyridin-3-yl]prop-2-enyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]pyridin-3-yl]prop-2-enyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridyl]allyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridinyl]prop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]pyridin-3-yl]prop-2-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-3-pyridyl]allyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3C#N)C=CCN4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3C#N)/C=C/CN4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H32N6O2/c1-19-22-9-10-30-24(22)8-7-23(19)31-25-20(17-29-18-21(25)16-28)6-5-11-32-12-14-33(15-13-32)26(34)35-27(2,3)4/h5-10,17-18,30H,11-15H2,1-4H3,(H,29,31)/b6-5+