4-[4-[(7-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]butyl]-1,4-diazepan-5-one

Systemtic Name: 4-[4-[(7-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[(7-phenoxytetralin-2-yl)-propyl-amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[(7-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[(7-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[(7-phenoxytetralin-2-yl)-propyl-amino]butyl]-1,4-diazepan-5-one Formula: C28H39N3O2 MolecularWeight: 449.62816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCNCCC1=O)C2CCC3=C(C2)C=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCN(CCCCN1CCNCCC1=O)C2CCC3=C(C2)C=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O2/c1-2-17-30(18-6-7-19-31-20-16-29-15-14-28(31)32)25-12-10-23-11-13-27(22-24(23)21-25)33-26-8-4-3-5-9-26/h3-5,8-9,11,13,22,25,29H,2,6-7,10,12,14-21H2,1H3