1-[3,3-bis(4-bromophenyl)-3-(4-chlorophenyl)propanoyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[3,3-bis(4-bromophenyl)-3-(4-chlorophenyl)propanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3,3-bis(4-bromophenyl)-3-(4-chlorophenyl)propanoyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3,3-bis(4-bromophenyl)-3-(4-chlorophenyl)-1-oxopropyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3,3-bis(4-bromophenyl)-3-(4-chlorophenyl)propanoyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3,3-bis(4-bromophenyl)-3-(4-chlorophenyl)propanoyl]-4-phenyl-isonipecotonitrile Formula: C33H27Br2ClN2O MolecularWeight: 662.84128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)CC(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C(=O)CC(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br

InChI

InChI=1S/C33H27Br2ClN2O/c34-28-12-6-25(7-13-28)33(26-8-14-29(35)15-9-26,27-10-16-30(36)17-11-27)22-31(39)38-20-18-32(23-37,19-21-38)24-4-2-1-3-5-24/h1-17H,18-22H2