N-benzo[a]pyren-4-yl-N-ethanoyl-ethanamide

Systemtic Name: N-benzo[a]pyren-4-yl-N-ethanoyl-ethanamide Openeye Name: N-acetyl-N-benzo[a]pyren-4-yl-acetamide CAS Name: N-acetyl-N-(4-benzo[a]pyrenyl)acetamide IUPAC Name: N-acetyl-N-benzo[a]pyren-4-ylacetamide Traditional Name: N-acetyl-N-benzo[a]pyren-4-yl-acetamide Formula: C24H17NO2 MolecularWeight: 351.39728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)C(=O)C

Isomeric SMILES

CC(=O)N(C1=CC2=CC3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)C(=O)C

InChI

InChI=1S/C24H17NO2/c1-14(26)25(15(2)27)22-13-18-12-17-6-3-4-8-19(17)20-11-10-16-7-5-9-21(22)23(16)24(18)20/h3-13H,1-2H3