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

Systemtic Name: pyridin-4-ylmethyl N-[5-[(2-phenylquinolin-4-yl)carbonylamino]pentyl]carbamate dihydrochloride Openeye Name: 4-pyridylmethyl N-[5-[(2-phenylquinoline-4-carbonyl)amino]pentyl]carbamate dihydrochloride CAS Name: N-[5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]pentyl]carbamic acid pyridin-4-ylmethyl ester dihydrochloride IUPAC Name: pyridin-4-ylmethyl N-[5-[(2-phenylquinoline-4-carbonyl)amino]pentyl]carbamate dihydrochloride Traditional Name: N-[5-[(2-phenylquinoline-4-carbonyl)amino]pentyl]carbamic acid 4-pyridylmethyl ester dihydrochloride Formula: C28H30Cl2N4O3 MolecularWeight: 541.4688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O3.2ClH/c33-27(30-15-7-2-8-16-31-28(34)35-20-21-13-17-29-18-14-21)24-19-26(22-9-3-1-4-10-22)32-25-12-6-5-11-23(24)25;;/h1,3-6,9-14,17-19H,2,7-8,15-16,20H2,(H,30,33)(H,31,34);2*1H