7-(4-nitrophenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile

Systemtic Name: 7-(4-nitrophenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 2-isopropyl-7-(4-nitrophenoxy)-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 7-(4-nitrophenoxy)-2-phenyl-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(4-nitrophenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 2-isopropyl-7-(4-nitrophenoxy)-2-phenyl-6-piperazino-enanthonitrile Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=C(C=C1)[N+](=O)[O-])N2CCNCC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=C(C=C1)[N+](=O)[O-])N2CCNCC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H34N4O3/c1-21(2)26(20-27,22-7-4-3-5-8-22)14-6-9-24(29-17-15-28-16-18-29)19-33-25-12-10-23(11-13-25)30(31)32/h3-5,7-8,10-13,21,24,28H,6,9,14-19H2,1-2H3