2-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-4-methyl-phenol; propan-2-amine

Systemtic Name: 2-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-4-methyl-phenol; propan-2-amine Openeye Name: 2-[3-(4-benzhydrylpiperazin-1-yl)propyl]-4-methyl-phenol; propan-2-amine CAS Name: 2-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-4-methylphenol; 2-propanamine IUPAC Name: 2-[3-(4-benzhydrylpiperazin-1-yl)propyl]-4-methylphenol; propan-2-amine Traditional Name: 2-[3-(4-benzhydrylpiperazino)propyl]-4-methyl-phenol; isopropylamine Formula: C30H41N3O MolecularWeight: 459.66604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)N

Isomeric SMILES

CC1=CC(=C(C=C1)O)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)N

InChI

InChI=1S/C27H32N2O.C3H9N/c1-22-14-15-26(30)25(21-22)13-8-16-28-17-19-29(20-18-28)27(23-9-4-2-5-10-23)24-11-6-3-7-12-24;1-3(2)4/h2-7,9-12,14-15,21,27,30H,8,13,16-20H2,1H3;3H,4H2,1-2H3