N-ethylethanamine; 2-ethyl-3-phenyl-3H-isoindol-1-one

Systemtic Name: N-ethylethanamine; 2-ethyl-3-phenyl-3H-isoindol-1-one Openeye Name: N-ethylethanamine; 2-ethyl-3-phenyl-isoindolin-1-one CAS Name: N-ethylethanamine; 2-ethyl-3-phenyl-3H-isoindol-1-one IUPAC Name: N-ethylethanamine; 2-ethyl-3-phenyl-3H-isoindol-1-one Traditional Name: diethylamine; 2-ethyl-3-phenyl-isoindolin-1-one Formula: C20H26N2O MolecularWeight: 310.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3

Isomeric SMILES

CCNCC.CCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15NO.C4H11N/c1-2-17-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)16(17)18;1-3-5-4-2/h3-11,15H,2H2,1H3;5H,3-4H2,1-2H3