9H-fluoren-9-ylmethyl 4-[4-[[1-(cyanomethylcarbamoyl)cyclohexyl]carbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl 4-[4-[[1-(cyanomethylcarbamoyl)cyclohexyl]carbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl 4-[4-[[1-(cyanomethylcarbamoyl)cyclohexyl]carbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]amino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl 4-[4-[[1-(cyanomethylcarbamoyl)cyclohexyl]carbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[1-(cyanomethylcarbamoyl)cyclohexyl]carbamoyl]phenyl]piperazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C35H37N5O4 MolecularWeight: 591.69938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C35H37N5O4/c36-18-19-37-33(42)35(16-6-1-7-17-35)38-32(41)25-12-14-26(15-13-25)39-20-22-40(23-21-39)34(43)44-24-31-29-10-4-2-8-27(29)28-9-3-5-11-30(28)31/h2-5,8-15,31H,1,6-7,16-17,19-24H2,(H,37,42)(H,38,41)