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

Systemtic Name: 4-[[[4-(azepan-1-yl)phenyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(azepan-1-yl)anilino]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(1-azepanyl)anilino]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(azepan-1-yl)anilino]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(azepan-1-yl)anilino]methyl]-7-hydroxy-coumarin Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H24N2O3/c25-19-9-10-20-16(13-22(26)27-21(20)14-19)15-23-17-5-7-18(8-6-17)24-11-3-1-2-4-12-24/h5-10,13-14,23,25H,1-4,11-12,15H2