tert-butyl 4-[(3-cyano-4-methyl-naphthalen-2-yl)-phenyl-amino]oxypiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-cyano-4-methyl-naphthalen-2-yl)-phenyl-amino]oxypiperazine-1-carboxylate Openeye Name: tert-butyl 4-(N-(3-cyano-4-methyl-2-naphthyl)anilino)oxypiperazine-1-carboxylate CAS Name: 4-(N-(3-cyano-4-methyl-2-naphthalenyl)anilino)oxy-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(N-(3-cyano-4-methylnaphthalen-2-yl)anilino)oxypiperazine-1-carboxylate Traditional Name: 4-(N-(3-cyano-4-methyl-2-naphthyl)anilino)oxypiperazine-1-carboxylic acid tert-butyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C12)N(C3=CC=CC=C3)ON4CCN(CC4)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C(=CC2=CC=CC=C12)N(C3=CC=CC=C3)ON4CCN(CC4)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C27H30N4O3/c1-20-23-13-9-8-10-21(23)18-25(24(20)19-28)31(22-11-6-5-7-12-22)34-30-16-14-29(15-17-30)26(32)33-27(2,3)4/h5-13,18H,14-17H2,1-4H3