4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(3,3-diphenylpropyl)-1,4-diazepan-1-yl]methyl]-7-methoxy-coumarin Formula: C31H34N2O3 MolecularWeight: 482.61326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N2O3/c1-35-27-13-14-29-26(21-31(34)36-30(29)22-27)23-33-17-8-16-32(19-20-33)18-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-14,21-22,28H,8,15-20,23H2,1H3