4-azanyl-8-[5-(azetidin-1-ylcarbonyl)-2-methoxy-phenyl]-N-propyl-cinnoline-3-carboxamide

Systemtic Name: 4-azanyl-8-[5-(azetidin-1-ylcarbonyl)-2-methoxy-phenyl]-N-propyl-cinnoline-3-carboxamide Openeye Name: 4-amino-8-[5-(azetidine-1-carbonyl)-2-methoxy-phenyl]-N-propyl-cinnoline-3-carboxamide CAS Name: 4-amino-8-[5-[1-azetidinyl(oxo)methyl]-2-methoxyphenyl]-N-propyl-3-cinnolinecarboxamide IUPAC Name: 4-amino-8-[5-(azetidine-1-carbonyl)-2-methoxyphenyl]-N-propylcinnoline-3-carboxamide Traditional Name: 4-amino-8-[5-(azetidine-1-carbonyl)-2-methoxy-phenyl]-N-propyl-cinnoline-3-carboxamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C2=C(C(=CC=C2)C3=C(C=CC(=C3)C(=O)N4CCC4)OC)N=N1)N

Isomeric SMILES

CCCNC(=O)C1=C(C2=C(C(=CC=C2)C3=C(C=CC(=C3)C(=O)N4CCC4)OC)N=N1)N

InChI

InChI=1S/C23H25N5O3/c1-3-10-25-22(29)21-19(24)16-7-4-6-15(20(16)26-27-21)17-13-14(8-9-18(17)31-2)23(30)28-11-5-12-28/h4,6-9,13H,3,5,10-12H2,1-2H3,(H2,24,26)(H,25,29)