5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-dipentyl-acenaphthylen-1-one

Systemtic Name: 5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-dipentyl-acenaphthylen-1-one Openeye Name: 5-(4-isopentyl-1,4-diazepan-1-yl)-2,2-dipentyl-acenaphthylen-1-one CAS Name: 5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-dipentyl-1-acenaphthylenone IUPAC Name: 5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-dipentylacenaphthylen-1-one Traditional Name: 2,2-diamyl-5-(4-isoamyl-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)CCC(C)C)C=CC=C3C1=O)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H48N2O/c1-5-7-9-18-32(19-10-8-6-2)28-15-16-29(26-13-11-14-27(30(26)28)31(32)35)34-21-12-20-33(23-24-34)22-17-25(3)4/h11,13-16,25H,5-10,12,17-24H2,1-4H3