[4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]-(5-tert-butyl-2-methyl-furan-3-yl)methanone

Systemtic Name: [4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]-(5-tert-butyl-2-methyl-furan-3-yl)methanone Openeye Name: [4-[(4-bromophenyl)-phenyl-methyl]piperazin-1-yl]-(5-tert-butyl-2-methyl-3-furyl)methanone CAS Name: [4-[(4-bromophenyl)-phenylmethyl]-1-piperazinyl]-(5-tert-butyl-2-methyl-3-furanyl)methanone IUPAC Name: [4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(5-tert-butyl-2-methylfuran-3-yl)methanone Traditional Name: [4-[(4-bromophenyl)-phenyl-methyl]piperazino]-(5-tert-butyl-2-methyl-3-furyl)methanone Formula: C27H31BrN2O2 MolecularWeight: 495.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(O1)C(C)(C)C)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H31BrN2O2/c1-19-23(18-24(32-19)27(2,3)4)26(31)30-16-14-29(15-17-30)25(20-8-6-5-7-9-20)21-10-12-22(28)13-11-21/h5-13,18,25H,14-17H2,1-4H3