3-(pyren-1-ylmethylamino)propanenitrile

Systemtic Name: 3-(pyren-1-ylmethylamino)propanenitrile Openeye Name: 3-(pyren-1-ylmethylamino)propanenitrile CAS Name: 3-(1-pyrenylmethylamino)propanenitrile IUPAC Name: 3-(pyren-1-ylmethylamino)propanenitrile Traditional Name: 3-(pyren-1-ylmethylamino)propionitrile Formula: C20H16N2 MolecularWeight: 284.35444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCC#N

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCC#N

InChI

InChI=1S/C20H16N2/c21-11-2-12-22-13-17-8-7-16-6-5-14-3-1-4-15-9-10-18(17)20(16)19(14)15/h1,3-10,22H,2,12-13H2