2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]benzonitrile IUPAC Name: 2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]phenyl]benzonitrile Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4C5=CC=CC=C5C#N

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4C5=CC=CC=C5C#N

InChI

InChI=1S/C27H25N3O2/c28-18-22-5-1-2-6-23(22)24-7-3-4-8-25(24)27(31)30-14-12-29(13-15-30)19-20-9-10-26-21(17-20)11-16-32-26/h1-10,17H,11-16,19H2