5-(4-methyl-1,4-diazepan-1-yl)-2,2-dipentyl-acenaphthylen-1-one

Systemtic Name: 5-(4-methyl-1,4-diazepan-1-yl)-2,2-dipentyl-acenaphthylen-1-one Openeye Name: 5-(4-methyl-1,4-diazepan-1-yl)-2,2-dipentyl-acenaphthylen-1-one CAS Name: 5-(4-methyl-1,4-diazepan-1-yl)-2,2-dipentyl-1-acenaphthylenone IUPAC Name: 5-(4-methyl-1,4-diazepan-1-yl)-2,2-dipentylacenaphthylen-1-one Traditional Name: 2,2-diamyl-5-(4-methyl-1,4-diazepan-1-yl)acenaphthen-1-one Formula: C28H40N2O MolecularWeight: 420.63

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O/c1-4-6-8-16-28(17-9-7-5-2)24-14-15-25(30-19-11-18-29(3)20-21-30)22-12-10-13-23(26(22)24)27(28)31/h10,12-15H,4-9,11,16-21H2,1-3H3