1-[[(3S,4S)-4-(3-bromophenyl)-1-(phenylmethyl)pyrrolidin-3-yl]methyl]-4-phenyl-piperidine

Systemtic Name: 1-[[(3S,4S)-4-(3-bromophenyl)-1-(phenylmethyl)pyrrolidin-3-yl]methyl]-4-phenyl-piperidine Openeye Name: 1-[[(3S,4S)-1-benzyl-4-(3-bromophenyl)pyrrolidin-3-yl]methyl]-4-phenyl-piperidine CAS Name: 1-[[(3S,4S)-4-(3-bromophenyl)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-4-phenylpiperidine IUPAC Name: 1-[[(3S,4S)-1-benzyl-4-(3-bromophenyl)pyrrolidin-3-yl]methyl]-4-phenylpiperidine Traditional Name: 1-[[(3S,4S)-1-benzyl-4-(3-bromophenyl)pyrrolidin-3-yl]methyl]-4-phenyl-piperidine Formula: C29H33BrN2 MolecularWeight: 489.48972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CC3CN(CC3C4=CC(=CC=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C[C@H]3CN(C[C@@H]3C4=CC(=CC=C4)Br)CC5=CC=CC=C5

InChI

InChI=1S/C29H33BrN2/c30-28-13-7-12-26(18-28)29-22-32(19-23-8-3-1-4-9-23)21-27(29)20-31-16-14-25(15-17-31)24-10-5-2-6-11-24/h1-13,18,25,27,29H,14-17,19-22H2/t27-,29+/m0/s1