tert-butyl 4-[cyano(propylamino)methyl]-3-oxidanyl-2-piperazin-1-yl-benzoate

Systemtic Name: tert-butyl 4-[cyano(propylamino)methyl]-3-oxidanyl-2-piperazin-1-yl-benzoate Openeye Name: tert-butyl 4-[cyano(propylamino)methyl]-3-hydroxy-2-piperazin-1-yl-benzoate CAS Name: 4-[cyano(propylamino)methyl]-3-hydroxy-2-(1-piperazinyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyano(propylamino)methyl]-3-hydroxy-2-piperazin-1-ylbenzoate Traditional Name: 4-[cyano(propylamino)methyl]-3-hydroxy-2-piperazino-benzoic acid tert-butyl ester Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C#N)C1=C(C(=C(C=C1)C(=O)OC(C)(C)C)N2CCNCC2)O

Isomeric SMILES

CCCNC(C#N)C1=C(C(=C(C=C1)C(=O)OC(C)(C)C)N2CCNCC2)O

InChI

InChI=1S/C20H30N4O3/c1-5-8-23-16(13-21)14-6-7-15(19(26)27-20(2,3)4)17(18(14)25)24-11-9-22-10-12-24/h6-7,16,22-23,25H,5,8-12H2,1-4H3