3-(2-bromophenyl)-2-[2-(cyclohexen-1-yl)ethyl-(diphenylmethyl)amino]propanenitrile

Systemtic Name: 3-(2-bromophenyl)-2-[2-(cyclohexen-1-yl)ethyl-(diphenylmethyl)amino]propanenitrile Openeye Name: 2-[benzhydryl-[2-(cyclohexen-1-yl)ethyl]amino]-3-(2-bromophenyl)propanenitrile CAS Name: 3-(2-bromophenyl)-2-[2-(1-cyclohexenyl)ethyl-(diphenylmethyl)amino]propanenitrile IUPAC Name: 2-[benzhydryl-[2-(cyclohexen-1-yl)ethyl]amino]-3-(2-bromophenyl)propanenitrile Traditional Name: 2-[benzhydryl-[2-(cyclohexen-1-yl)ethyl]amino]-3-(2-bromophenyl)propionitrile Formula: C30H31BrN2 MolecularWeight: 499.48454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN(C(CC2=CC=CC=C2Br)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCN(C(CC2=CC=CC=C2Br)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H31BrN2/c31-29-19-11-10-18-27(29)22-28(23-32)33(21-20-24-12-4-1-5-13-24)30(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h2-3,6-12,14-19,28,30H,1,4-5,13,20-22H2