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

Systemtic Name: 2,2-dibutyl-5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-dibutyl-5-(4-isopentyl-1,4-diazepan-1-yl)acenaphthylen-1-one CAS Name: 2,2-dibutyl-5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-dibutyl-5-[4-(3-methylbutyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-dibutyl-5-(4-isoamyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C30H44N2O MolecularWeight: 448.68316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC(C)C)C=CC=C3C1=O)CCCC

Isomeric SMILES

CCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CCC(C)C)C=CC=C3C1=O)CCCC

InChI

InChI=1S/C30H44N2O/c1-5-7-16-30(17-8-6-2)26-13-14-27(24-11-9-12-25(28(24)26)29(30)33)32-19-10-18-31(21-22-32)20-15-23(3)4/h9,11-14,23H,5-8,10,15-22H2,1-4H3