5-(1,3-dihydro-2-benzofuran-5-ylmethyl)pyrene-4-carbonitrile

Systemtic Name: 5-(1,3-dihydro-2-benzofuran-5-ylmethyl)pyrene-4-carbonitrile Openeye Name: 5-(1,3-dihydroisobenzofuran-5-ylmethyl)pyrene-4-carbonitrile CAS Name: 5-(1,3-dihydroisobenzofuran-5-ylmethyl)-4-pyrenecarbonitrile IUPAC Name: 5-(1,3-dihydro-2-benzofuran-5-ylmethyl)pyrene-4-carbonitrile Traditional Name: 5-(phthalan-5-ylmethyl)pyrene-4-carbonitrile Formula: C26H17NO MolecularWeight: 359.41928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CO1)C=C(C=C2)CC3=C(C4=CC=CC5=C4C6=C(C=CC=C36)C=C5)C#N

Isomeric SMILES

C1C2=C(CO1)C=C(C=C2)CC3=C(C4=CC=CC5=C4C6=C(C=CC=C36)C=C5)C#N

InChI

InChI=1S/C26H17NO/c27-13-24-22-6-2-4-18-10-9-17-3-1-5-21(25(17)26(18)22)23(24)12-16-7-8-19-14-28-15-20(19)11-16/h1-11H,12,14-15H2