2-[2-[[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylamino]methyl]pentylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylamino]methyl]pentylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylamino]methyl]pentylamino]-1H-quinolin-4-one CAS Name: 2-[2-[[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylamino]methyl]pentylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylamino]methyl]pentylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylamino]methyl]pentylamino]-4-quinolone Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O/c1-4-10-22(18-30-28-16-27(33)25-13-8-9-14-26(25)31-28)17-29-19-23-15-20(2)32(21(23)3)24-11-6-5-7-12-24/h5-9,11-16,22,29H,4,10,17-19H2,1-3H3,(H2,30,31,33)