tert-butyl 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[(3-aminophenyl)-[4-[diethylamino(oxo)methyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[(3-aminophenyl)-[4-(diethylcarbamoyl)phenyl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H38N4O3 MolecularWeight: 466.61562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)N)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)N)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H38N4O3/c1-6-29(7-2)25(32)21-13-11-20(12-14-21)24(22-9-8-10-23(28)19-22)30-15-17-31(18-16-30)26(33)34-27(3,4)5/h8-14,19,24H,6-7,15-18,28H2,1-5H3