4-[[[4-(azepan-1-yl)phenyl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[4-(azepan-1-yl)phenyl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(azepan-1-yl)anilino]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(1-azepanyl)anilino]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(azepan-1-yl)anilino]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(azepan-1-yl)anilino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C23H26N2O3 MolecularWeight: 378.46414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CNC3=CC=C(C=C3)N4CCCCCC4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CNC3=CC=C(C=C3)N4CCCCCC4)O

InChI

InChI=1S/C23H26N2O3/c1-16-21(26)11-10-20-17(14-22(27)28-23(16)20)15-24-18-6-8-19(9-7-18)25-12-4-2-3-5-13-25/h6-11,14,24,26H,2-5,12-13,15H2,1H3