4-[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyrimidin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyrimidin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyrimidin-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[4-[4-[[(3-cyano-1H-indol-5-yl)-ethylamino]-oxomethyl]phenyl]-2-pyrimidinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[4-[(3-cyano-1H-indol-5-yl)-ethylcarbamoyl]phenyl]pyrimidin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]pyrimidin-2-yl]piperazine-1-carboxylic acid Formula: C27H25N7O3 MolecularWeight: 495.5325

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)NC=C2C#N)C(=O)C3=CC=C(C=C3)C4=NC(=NC=C4)N5CCN(CC5)C(=O)O

Isomeric SMILES

CCN(C1=CC2=C(C=C1)NC=C2C#N)C(=O)C3=CC=C(C=C3)C4=NC(=NC=C4)N5CCN(CC5)C(=O)O

InChI

InChI=1S/C27H25N7O3/c1-2-34(21-7-8-24-22(15-21)20(16-28)17-30-24)25(35)19-5-3-18(4-6-19)23-9-10-29-26(31-23)32-11-13-33(14-12-32)27(36)37/h3-10,15,17,30H,2,11-14H2,1H3,(H,36,37)