pyridin-4-ylmethyl N-[6-oxidanylidene-5-[(2-phenylquinolin-4-yl)carbonylamino]hexyl]carbamate dihydrochloride

Systemtic Name: pyridin-4-ylmethyl N-[6-oxidanylidene-5-[(2-phenylquinolin-4-yl)carbonylamino]hexyl]carbamate dihydrochloride Openeye Name: 4-pyridylmethyl N-[6-oxo-5-[(2-phenylquinoline-4-carbonyl)amino]hexyl]carbamate dihydrochloride CAS Name: N-[6-oxo-5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]hexyl]carbamic acid pyridin-4-ylmethyl ester dihydrochloride IUPAC Name: pyridin-4-ylmethyl N-[6-oxo-5-[(2-phenylquinoline-4-carbonyl)amino]hexyl]carbamate dihydrochloride Traditional Name: N-[6-keto-5-[(2-phenylquinoline-4-carbonyl)amino]hexyl]carbamic acid 4-pyridylmethyl ester dihydrochloride Formula: C29H30Cl2N4O4 MolecularWeight: 569.4789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CCCCNC(=O)OCC4=CC=NC=C4)C=O.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CCCCNC(=O)OCC4=CC=NC=C4)C=O.Cl.Cl

InChI

InChI=1S/C29H28N4O4.2ClH/c34-19-23(10-6-7-15-31-29(36)37-20-21-13-16-30-17-14-21)32-28(35)25-18-27(22-8-2-1-3-9-22)33-26-12-5-4-11-24(25)26;;/h1-5,8-9,11-14,16-19,23H,6-7,10,15,20H2,(H,31,36)(H,32,35);2*1H