5-[4-[2-[4-(dimethylamino)phenoxy]ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-[4-(dimethylamino)phenoxy]ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-[4-(dimethylamino)phenoxy]ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-[4-(dimethylamino)phenoxy]ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-[4-(dimethylamino)phenoxy]ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-[4-(dimethylamino)phenoxy]ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C28H40N4O MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)N(C)C)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)N(C)C)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H40N4O/c1-24(2)28(23-29,25-9-6-5-7-10-25)15-8-16-31-17-19-32(20-18-31)21-22-33-27-13-11-26(12-14-27)30(3)4/h5-7,9-14,24H,8,15-22H2,1-4H3