2-azanyl-3-phenyl-N-(pyren-1-ylmethyl)propanamide

Systemtic Name: 2-azanyl-3-phenyl-N-(pyren-1-ylmethyl)propanamide Openeye Name: 2-amino-3-phenyl-N-(pyren-1-ylmethyl)propanamide CAS Name: 2-amino-3-phenyl-N-(1-pyrenylmethyl)propanamide IUPAC Name: 2-amino-3-phenyl-N-(pyren-1-ylmethyl)propanamide Traditional Name: 2-amino-3-phenyl-N-(pyren-1-ylmethyl)propionamide Formula: C26H22N2O MolecularWeight: 378.46568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)N

InChI

InChI=1S/C26H22N2O/c27-23(15-17-5-2-1-3-6-17)26(29)28-16-21-12-11-20-10-9-18-7-4-8-19-13-14-22(21)25(20)24(18)19/h1-14,23H,15-16,27H2,(H,28,29)