7-[4-(dimethylamino)phenoxy]-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-[4-(dimethylamino)phenoxy]-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-[4-(dimethylamino)phenoxy]-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-[4-(dimethylamino)phenoxy]-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-[4-(dimethylamino)phenoxy]-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-[4-(dimethylamino)phenoxy]-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C28H40N4O MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)N(C)C)N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)N(C)C)N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

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