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

Systemtic Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]benzonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2/c22-14-16-1-4-18(5-2-16)21(25)24-10-8-23(9-11-24)15-17-3-6-20-19(13-17)7-12-26-20/h1-6,13H,7-12,15H2