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

Systemtic Name: 5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-dipropyl-acenaphthylen-1-one Openeye Name: 5-(4-isopentyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthylen-1-one CAS Name: 5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-dipropyl-1-acenaphthylenone IUPAC Name: 5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-2,2-dipropylacenaphthylen-1-one Traditional Name: 5-(4-isoamyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthen-1-one Formula: C28H40N2O MolecularWeight: 420.63

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC(C)C)C=CC=C3C1=O)CCC

Isomeric SMILES

CCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC(C)C)C=CC=C3C1=O)CCC

InChI

InChI=1S/C28H40N2O/c1-5-14-28(15-6-2)24-11-12-25(22-9-7-10-23(26(22)24)27(28)31)30-17-8-16-29(19-20-30)18-13-21(3)4/h7,9-12,21H,5-6,8,13-20H2,1-4H3