2,2-dibutyl-5-(4-prop-2-enyl-1,4-diazepan-1-yl)acenaphthylen-1-one

Systemtic Name: 2,2-dibutyl-5-(4-prop-2-enyl-1,4-diazepan-1-yl)acenaphthylen-1-one Openeye Name: 5-(4-allyl-1,4-diazepan-1-yl)-2,2-dibutyl-acenaphthylen-1-one CAS Name: 2,2-dibutyl-5-(4-prop-2-enyl-1,4-diazepan-1-yl)-1-acenaphthylenone IUPAC Name: 2,2-dibutyl-5-(4-prop-2-enyl-1,4-diazepan-1-yl)acenaphthylen-1-one Traditional Name: 5-(4-allyl-1,4-diazepan-1-yl)-2,2-dibutyl-acenaphthen-1-one Formula: C28H38N2O MolecularWeight: 418.61412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O/c1-4-7-15-28(16-8-5-2)24-13-14-25(22-11-9-12-23(26(22)24)27(28)31)30-19-10-18-29(17-6-3)20-21-30/h6,9,11-14H,3-5,7-8,10,15-21H2,1-2H3