4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-(propan-2-ylamino)-3-propyl-phenol

Systemtic Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-(propan-2-ylamino)-3-propyl-phenol Openeye Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-(isopropylamino)-3-propyl-phenol CAS Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-2-(propan-2-ylamino)-3-propylphenol IUPAC Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(propan-2-ylamino)-3-propylphenol Traditional Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-2-(isopropylamino)-3-propyl-phenol Formula: C29H36ClN3O MolecularWeight: 478.06864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1NC(C)C)O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1NC(C)C)O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H36ClN3O/c1-4-8-25-26(15-16-27(34)28(25)31-21(2)3)32-17-19-33(20-18-32)29(22-9-6-5-7-10-22)23-11-13-24(30)14-12-23/h5-7,9-16,21,29,31,34H,4,8,17-20H2,1-3H3