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

Systemtic Name: 5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-2,2-dipentyl-acenaphthylen-1-one Openeye Name: 5-(4-isobutyl-1,4-diazepan-1-yl)-2,2-dipentyl-acenaphthylen-1-one CAS Name: 5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-2,2-dipentyl-1-acenaphthylenone IUPAC Name: 5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-2,2-dipentylacenaphthylen-1-one Traditional Name: 2,2-diamyl-5-(4-isobutyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C31H46N2O MolecularWeight: 462.70974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC(C)C)C=CC=C3C1=O)CCCCC

Isomeric SMILES

CCCCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC(C)C)C=CC=C3C1=O)CCCCC

InChI

InChI=1S/C31H46N2O/c1-5-7-9-17-31(18-10-8-6-2)27-15-16-28(25-13-11-14-26(29(25)27)30(31)34)33-20-12-19-32(21-22-33)23-24(3)4/h11,13-16,24H,5-10,12,17-23H2,1-4H3