2-[2-[[(4-butylphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[(4-butylphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[(4-butylphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[(4-butylphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[(4-butylphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[(4-butylbenzyl)amino]methyl]pentylamino]-4-quinolone Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CNCC(CCC)CNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)CNCC(CCC)CNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C26H35N3O/c1-3-5-9-20-12-14-21(15-13-20)17-27-18-22(8-4-2)19-28-26-16-25(30)23-10-6-7-11-24(23)29-26/h6-7,10-16,22,27H,3-5,8-9,17-19H2,1-2H3,(H2,28,29,30)