tert-butyl 2-[4-(4-cyanophenyl)-2-methyl-4-piperazin-1-yl-piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(4-cyanophenyl)-2-methyl-4-piperazin-1-yl-piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4-cyanophenyl)-2-methyl-4-piperazin-1-yl-1-piperidyl]acetate CAS Name: 2-[4-(4-cyanophenyl)-2-methyl-4-(1-piperazinyl)-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-cyanophenyl)-2-methyl-4-piperazin-1-ylpiperidin-1-yl]acetate Traditional Name: 2-[4-(4-cyanophenyl)-2-methyl-4-piperazino-piperidino]acetic acid tert-butyl ester Formula: C23H34N4O2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CC(=O)OC(C)(C)C)(C2=CC=C(C=C2)C#N)N3CCNCC3

Isomeric SMILES

CC1CC(CCN1CC(=O)OC(C)(C)C)(C2=CC=C(C=C2)C#N)N3CCNCC3

InChI

InChI=1S/C23H34N4O2/c1-18-15-23(27-13-10-25-11-14-27,20-7-5-19(16-24)6-8-20)9-12-26(18)17-21(28)29-22(2,3)4/h5-8,18,25H,9-15,17H2,1-4H3