2,2-dibutyl-5-[4-(2-methylprop-2-enyl)-1,4-diazepan-1-yl]acenaphthylen-1-one

Systemtic Name: 2,2-dibutyl-5-[4-(2-methylprop-2-enyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Openeye Name: 2,2-dibutyl-5-[4-(2-methylallyl)-1,4-diazepan-1-yl]acenaphthylen-1-one CAS Name: 2,2-dibutyl-5-[4-(2-methylprop-2-enyl)-1,4-diazepan-1-yl]-1-acenaphthylenone IUPAC Name: 2,2-dibutyl-5-[4-(2-methylprop-2-enyl)-1,4-diazepan-1-yl]acenaphthylen-1-one Traditional Name: 2,2-dibutyl-5-[4-(2-methylallyl)-1,4-diazepan-1-yl]acenaphthen-1-one Formula: C29H40N2O MolecularWeight: 432.6407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O/c1-5-7-15-29(16-8-6-2)25-13-14-26(23-11-9-12-24(27(23)25)28(29)32)31-18-10-17-30(19-20-31)21-22(3)4/h9,11-14H,3,5-8,10,15-21H2,1-2,4H3