[8-[5-(diethylamino)pentylamino]quinolin-6-yl] 4-chloranylbenzoate

Systemtic Name: [8-[5-(diethylamino)pentylamino]quinolin-6-yl] 4-chloranylbenzoate Openeye Name: [8-[5-(diethylamino)pentylamino]-6-quinolyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [8-[5-(diethylamino)pentylamino]-6-quinolinyl] ester IUPAC Name: [8-[5-(diethylamino)pentylamino]quinolin-6-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [8-[5-(diethylamino)pentylamino]-6-quinolyl] ester Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCNC1=C2C(=CC(=C1)OC(=O)C3=CC=C(C=C3)Cl)C=CC=N2

Isomeric SMILES

CCN(CC)CCCCCNC1=C2C(=CC(=C1)OC(=O)C3=CC=C(C=C3)Cl)C=CC=N2

InChI

InChI=1S/C25H30ClN3O2/c1-3-29(4-2)16-7-5-6-14-27-23-18-22(17-20-9-8-15-28-24(20)23)31-25(30)19-10-12-21(26)13-11-19/h8-13,15,17-18,27H,3-7,14,16H2,1-2H3