tert-butyl 4-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-(m-tolyl)piperazin-1-yl]butylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-[4-(3-methylphenyl)-1-piperazinyl]butylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(m-tolyl)piperazino]butylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H42N4O3 MolecularWeight: 458.63668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCCNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H42N4O3/c1-21-8-7-9-23(20-21)29-18-16-28(17-19-29)13-6-5-12-27-24(31)22-10-14-30(15-11-22)25(32)33-26(2,3)4/h7-9,20,22H,5-6,10-19H2,1-4H3,(H,27,31)