6-ethyl-7-oxidanyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C24H28N2O3 MolecularWeight: 392.49072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCN(CC3)CC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCCN(CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C24H28N2O3/c1-2-19-13-21-20(14-24(28)29-23(21)15-22(19)27)17-26-10-6-9-25(11-12-26)16-18-7-4-3-5-8-18/h3-5,7-8,13-15,27H,2,6,9-12,16-17H2,1H3