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

Systemtic Name: 4-[4-[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]butyl]-1,4-diazepan-5-one Openeye Name: 4-[4-[(7-nitrotetralin-2-yl)-propyl-amino]butyl]-1,4-diazepan-5-one CAS Name: 4-[4-[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-1,4-diazepan-5-one IUPAC Name: 4-[4-[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-1,4-diazepan-5-one Traditional Name: 4-[4-[(7-nitrotetralin-2-yl)-propyl-amino]butyl]-1,4-diazepan-5-one Formula: C22H34N4O3 MolecularWeight: 402.53036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCNCCC1=O)C2CCC3=C(C2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCCCN1CCNCCC1=O)C2CCC3=C(C2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H34N4O3/c1-2-12-24(13-3-4-14-25-15-11-23-10-9-22(25)27)20-7-5-18-6-8-21(26(28)29)17-19(18)16-20/h6,8,17,20,23H,2-5,7,9-16H2,1H3