[5-bromanyl-2-(3-methylbutoxy)phenyl]-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [5-bromanyl-2-(3-methylbutoxy)phenyl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-(5-bromo-2-isopentyloxy-phenyl)methanone CAS Name: [5-bromo-2-(3-methylbutoxy)phenyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[5-bromo-2-(3-methylbutoxy)phenyl]methanone Traditional Name: (4-benzhydrylpiperazino)-(5-bromo-2-isoamoxy-phenyl)methanone Formula: C29H33BrN2O2 MolecularWeight: 521.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33BrN2O2/c1-22(2)15-20-34-27-14-13-25(30)21-26(27)29(33)32-18-16-31(17-19-32)28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,21-22,28H,15-20H2,1-2H3