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

Systemtic Name: 2-phenyl-7-[2-(phenylmethyl)phenoxy]-6-piperazin-1-yl-2-propan-2-yl-heptanenitrile Openeye Name: 7-(2-benzylphenoxy)-2-isopropyl-2-phenyl-6-piperazin-1-yl-heptanenitrile CAS Name: 2-phenyl-7-[2-(phenylmethyl)phenoxy]-6-(1-piperazinyl)-2-propan-2-ylheptanenitrile IUPAC Name: 7-(2-benzylphenoxy)-2-phenyl-6-piperazin-1-yl-2-propan-2-ylheptanenitrile Traditional Name: 7-(2-benzylphenoxy)-2-isopropyl-2-phenyl-6-piperazino-enanthonitrile Formula: C33H41N3O MolecularWeight: 495.69814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CCNCC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CCNCC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C33H41N3O/c1-27(2)33(26-34,30-15-7-4-8-16-30)19-11-17-31(36-22-20-35-21-23-36)25-37-32-18-10-9-14-29(32)24-28-12-5-3-6-13-28/h3-10,12-16,18,27,31,35H,11,17,19-25H2,1-2H3