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

Systemtic Name: 4-(aminomethyl)-5-azanyl-4-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)pentan-1-one Openeye Name: 5-amino-4-(aminomethyl)-4-(3-bromophenyl)-1-(2,3-dihydrobenzofuran-7-yl)pentan-1-one CAS Name: 5-amino-4-(aminomethyl)-4-(3-bromophenyl)-1-(2,3-dihydrobenzofuran-7-yl)-1-pentanone IUPAC Name: 5-amino-4-(aminomethyl)-4-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)pentan-1-one Traditional Name: 5-amino-4-(aminomethyl)-4-(3-bromophenyl)-1-coumaran-7-yl-pentan-1-one Formula: C20H23BrN2O2 MolecularWeight: 403.31282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C21)C(=O)CCC(CN)(CN)C3=CC(=CC=C3)Br

Isomeric SMILES

C1COC2=C(C=CC=C21)C(=O)CCC(CN)(CN)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2/c21-16-5-2-4-15(11-16)20(12-22,13-23)9-7-18(24)17-6-1-3-14-8-10-25-19(14)17/h1-6,11H,7-10,12-13,22-23H2