5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclopropyl-heptanenitrile

Systemtic Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclopropyl-heptanenitrile Openeye Name: 2-(4-bromophenyl)-2-cyclopropyl-5-(dibenzylamino)heptanenitrile CAS Name: 5-[bis(phenylmethyl)amino]-2-(4-bromophenyl)-2-cyclopropylheptanenitrile IUPAC Name: 2-(4-bromophenyl)-2-cyclopropyl-5-(dibenzylamino)heptanenitrile Traditional Name: 2-(4-bromophenyl)-2-cyclopropyl-5-(dibenzylamino)enanthonitrile Formula: C30H33BrN2 MolecularWeight: 501.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)Br)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC(CCC(C#N)(C1CC1)C2=CC=C(C=C2)Br)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C30H33BrN2/c1-2-29(19-20-30(23-32,26-13-14-26)27-15-17-28(31)18-16-27)33(21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25/h3-12,15-18,26,29H,2,13-14,19-22H2,1H3