2-pyren-1-yl-3H-isoquinoline-3-carbaldehyde

Systemtic Name: 2-pyren-1-yl-3H-isoquinoline-3-carbaldehyde Openeye Name: 2-pyren-1-yl-3H-isoquinoline-3-carbaldehyde CAS Name: 2-(1-pyrenyl)-3H-isoquinoline-3-carboxaldehyde IUPAC Name: 2-pyren-1-yl-3H-isoquinoline-3-carbaldehyde Traditional Name: 2-pyren-1-yl-3H-isoquinoline-3-carbaldehyde Formula: C26H17NO MolecularWeight: 359.41928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(N(C=C2C=C1)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C=O

Isomeric SMILES

C1=CC2=CC(N(C=C2C=C1)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C=O

InChI

InChI=1S/C26H17NO/c28-16-22-14-20-4-1-2-5-21(20)15-27(22)24-13-11-19-9-8-17-6-3-7-18-10-12-23(24)26(19)25(17)18/h1-16,22H