4-(aminomethyl)-5-azanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-4-(3-ethanoylphenyl)pentan-1-one

Systemtic Name: 4-(aminomethyl)-5-azanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-4-(3-ethanoylphenyl)pentan-1-one Openeye Name: 4-(3-acetylphenyl)-5-amino-4-(aminomethyl)-1-(2,3-dihydrobenzofuran-7-yl)pentan-1-one CAS Name: 4-(3-acetylphenyl)-5-amino-4-(aminomethyl)-1-(2,3-dihydrobenzofuran-7-yl)-1-pentanone IUPAC Name: 4-(3-acetylphenyl)-5-amino-4-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-7-yl)pentan-1-one Traditional Name: 4-(3-acetylphenyl)-5-amino-4-(aminomethyl)-1-coumaran-7-yl-pentan-1-one Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C(CCC(=O)C2=C3C(=CC=C2)CCO3)(CN)CN

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C(CCC(=O)C2=C3C(=CC=C2)CCO3)(CN)CN

InChI

InChI=1S/C22H26N2O3/c1-15(25)17-5-2-6-18(12-17)22(13-23,14-24)10-8-20(26)19-7-3-4-16-9-11-27-21(16)19/h2-7,12H,8-11,13-14,23-24H2,1H3