5-[4-[[4-oxidanylidenepentyl-(phenylmethyl)amino]methyl]pent-4-en-2-ynyl-(phenylmethyl)amino]pentan-2-one

Systemtic Name: 5-[4-[[4-oxidanylidenepentyl-(phenylmethyl)amino]methyl]pent-4-en-2-ynyl-(phenylmethyl)amino]pentan-2-one Openeye Name: 5-[benzyl-[4-[[benzyl(4-oxopentyl)amino]methyl]pent-4-en-2-ynyl]amino]pentan-2-one CAS Name: 5-[4-[[4-oxopentyl-(phenylmethyl)amino]methyl]pent-4-en-2-ynyl-(phenylmethyl)amino]-2-pentanone IUPAC Name: 5-[benzyl-[4-[[benzyl(4-oxopentyl)amino]methyl]pent-4-en-2-ynyl]amino]pentan-2-one Traditional Name: 5-[benzyl-[4-[[benzyl(4-ketopentyl)amino]methyl]pent-4-en-2-ynyl]amino]pentan-2-one Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN(CC#CC(=C)CN(CCCC(=O)C)CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CCCN(CC#CC(=C)CN(CCCC(=O)C)CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C30H38N2O2/c1-26(23-32(22-12-15-28(3)34)25-30-18-8-5-9-19-30)13-10-20-31(21-11-14-27(2)33)24-29-16-6-4-7-17-29/h4-9,16-19H,1,11-12,14-15,20-25H2,2-3H3