2-tert-butyl-6-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propylamino]-4-methyl-phenol

Systemtic Name: 2-tert-butyl-6-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propylamino]-4-methyl-phenol Openeye Name: 2-tert-butyl-6-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propylamino]-4-methyl-phenol CAS Name: 2-tert-butyl-6-[3-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]propylamino]-4-methylphenol IUPAC Name: 2-tert-butyl-6-[3-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propylamino]-4-methylphenol Traditional Name: 2-tert-butyl-6-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]propylamino]-4-methyl-phenol Formula: C31H40ClN3O MolecularWeight: 506.1218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)NCCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)O)C(C)(C)C

InChI

InChI=1S/C31H40ClN3O/c1-23-21-27(31(2,3)4)30(36)28(22-23)33-15-8-16-34-17-19-35(20-18-34)29(24-9-6-5-7-10-24)25-11-13-26(32)14-12-25/h5-7,9-14,21-22,29,33,36H,8,15-20H2,1-4H3