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

Systemtic Name: 5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-2,2-dipropyl-acenaphthylen-1-one Openeye Name: 5-(4-isobutyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthylen-1-one CAS Name: 5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-2,2-dipropyl-1-acenaphthylenone IUPAC Name: 5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-2,2-dipropylacenaphthylen-1-one Traditional Name: 5-(4-isobutyl-1,4-diazepan-1-yl)-2,2-dipropyl-acenaphthen-1-one Formula: C27H38N2O MolecularWeight: 406.60342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O/c1-5-13-27(14-6-2)23-11-12-24(21-9-7-10-22(25(21)23)26(27)30)29-16-8-15-28(17-18-29)19-20(3)4/h7,9-12,20H,5-6,8,13-19H2,1-4H3