5-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(benzofuran-2-ylmethyl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-(2-benzofuranylmethyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(benzofuran-2-ylmethyl)piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC3=CC=CC=C3O2)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC3=CC=CC=C3O2)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O/c1-22(2)27(21-28,24-10-4-3-5-11-24)13-8-14-29-15-17-30(18-16-29)20-25-19-23-9-6-7-12-26(23)31-25/h3-7,9-12,19,22H,8,13-18,20H2,1-2H3