1-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]benzyl]-1,4-diazepan-5-one Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(COC3=CC=C(C=C3)CN4CCC(=O)NCC4)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(COC3=CC=C(C=C3)CN4CCC(=O)NCC4)O

InChI

InChI=1S/C24H31N3O3/c28-22(17-27-12-9-20-3-1-2-4-21(20)16-27)18-30-23-7-5-19(6-8-23)15-26-13-10-24(29)25-11-14-26/h1-8,22,28H,9-18H2,(H,25,29)