4-[3-[[1-(2-azanylethyl)-3H-2-benzofuran-1-yl]methoxymethyl]-5-chloranyl-phenyl]benzenecarbonitrile

Systemtic Name: 4-[3-[[1-(2-azanylethyl)-3H-2-benzofuran-1-yl]methoxymethyl]-5-chloranyl-phenyl]benzenecarbonitrile Openeye Name: 4-[3-[[1-(2-aminoethyl)-3H-isobenzofuran-1-yl]methoxymethyl]-5-chloro-phenyl]benzonitrile CAS Name: 4-[3-[[1-(2-aminoethyl)-3H-isobenzofuran-1-yl]methoxymethyl]-5-chlorophenyl]benzonitrile IUPAC Name: 4-[3-[[1-(2-aminoethyl)-3H-2-benzofuran-1-yl]methoxymethyl]-5-chlorophenyl]benzonitrile Traditional Name: 4-[3-[[1-(2-aminoethyl)phthalan-1-yl]methoxymethyl]-5-chloro-phenyl]benzonitrile Formula: C25H23ClN2O2 MolecularWeight: 418.91532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(O1)(CCN)COCC3=CC(=CC(=C3)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

C1C2=CC=CC=C2C(O1)(CCN)COCC3=CC(=CC(=C3)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C25H23ClN2O2/c26-23-12-19(11-22(13-23)20-7-5-18(14-28)6-8-20)15-29-17-25(9-10-27)24-4-2-1-3-21(24)16-30-25/h1-8,11-13H,9-10,15-17,27H2