3-[bis(2-chloroethyl)amino]-N-(5,6-dimethoxyquinolin-8-yl)propanamide

Systemtic Name: 3-[bis(2-chloroethyl)amino]-N-(5,6-dimethoxyquinolin-8-yl)propanamide Openeye Name: 3-[bis(2-chloroethyl)amino]-N-(5,6-dimethoxy-8-quinolyl)propanamide CAS Name: 3-[bis(2-chloroethyl)amino]-N-(5,6-dimethoxy-8-quinolinyl)propanamide IUPAC Name: 3-[bis(2-chloroethyl)amino]-N-(5,6-dimethoxyquinolin-8-yl)propanamide Traditional Name: 3-[bis(2-chloroethyl)amino]-N-(5,6-dimethoxy-8-quinolyl)propionamide Formula: C18H23Cl2N3O3 MolecularWeight: 400.29952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)NC(=O)CCN(CCCl)CCCl)N=CC=C2)OC

Isomeric SMILES

COC1=C(C2=C(C(=C1)NC(=O)CCN(CCCl)CCCl)N=CC=C2)OC

InChI

InChI=1S/C18H23Cl2N3O3/c1-25-15-12-14(17-13(18(15)26-2)4-3-8-21-17)22-16(24)5-9-23(10-6-19)11-7-20/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,22,24)