2,2-diethyl-5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one

Systemtic Name: 2,2-diethyl-5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-diethyl-5-(4-isobutyl-1,4-diazepan-1-yl)acenaphthylen-1-one CAS Name: 2,2-diethyl-5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-diethyl-5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-diethyl-5-(4-isobutyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C25H34N2O MolecularWeight: 378.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC(C)C)C=CC=C3C1=O)CC

Isomeric SMILES

CCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC(C)C)C=CC=C3C1=O)CC

InChI

InChI=1S/C25H34N2O/c1-5-25(6-2)21-11-12-22(19-9-7-10-20(23(19)21)24(25)28)27-14-8-13-26(15-16-27)17-18(3)4/h7,9-12,18H,5-6,8,13-17H2,1-4H3