2-[2-[[(3-phenoxyphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[(3-phenoxyphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[(3-phenoxyphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[(3-phenoxyphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[(3-phenoxyphenyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[(3-phenoxybenzyl)amino]methyl]pentylamino]-4-quinolone Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNCC1=CC(=CC=C1)OC2=CC=CC=C2)CNC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCC(CNCC1=CC(=CC=C1)OC2=CC=CC=C2)CNC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C28H31N3O2/c1-2-9-22(20-30-28-17-27(32)25-14-6-7-15-26(25)31-28)19-29-18-21-10-8-13-24(16-21)33-23-11-4-3-5-12-23/h3-8,10-17,22,29H,2,9,18-20H2,1H3,(H2,30,31,32)