5-[4-(2,2-dimethylpropyl)-1,4-diazepan-1-yl]-2,2-dipentyl-acenaphthylen-1-one

Systemtic Name: 5-[4-(2,2-dimethylpropyl)-1,4-diazepan-1-yl]-2,2-dipentyl-acenaphthylen-1-one Openeye Name: 5-[4-(2,2-dimethylpropyl)-1,4-diazepan-1-yl]-2,2-dipentyl-acenaphthylen-1-one CAS Name: 5-[4-(2,2-dimethylpropyl)-1,4-diazepan-1-yl]-2,2-dipentyl-1-acenaphthylenone IUPAC Name: 5-[4-(2,2-dimethylpropyl)-1,4-diazepan-1-yl]-2,2-dipentylacenaphthylen-1-one Traditional Name: 2,2-diamyl-5-(4-neopentyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C32H48N2O MolecularWeight: 476.73632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC(C)(C)C)C=CC=C3C1=O)CCCCC

Isomeric SMILES

CCCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC(C)(C)C)C=CC=C3C1=O)CCCCC

InChI

InChI=1S/C32H48N2O/c1-6-8-10-18-32(19-11-9-7-2)27-16-17-28(25-14-12-15-26(29(25)27)30(32)35)34-21-13-20-33(22-23-34)24-31(3,4)5/h12,14-17H,6-11,13,18-24H2,1-5H3