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

Systemtic Name: 4-azanyl-8-[3-(azetidin-1-ylcarbonyl)phenyl]-N-propyl-cinnoline-3-carboxamide Openeye Name: 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propyl-cinnoline-3-carboxamide CAS Name: 4-amino-8-[3-[1-azetidinyl(oxo)methyl]phenyl]-N-propyl-3-cinnolinecarboxamide IUPAC Name: 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propylcinnoline-3-carboxamide Traditional Name: 4-amino-8-[3-(azetidine-1-carbonyl)phenyl]-N-propyl-cinnoline-3-carboxamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-2-10-24-21(28)20-18(23)17-9-4-8-16(19(17)25-26-20)14-6-3-7-15(13-14)22(29)27-11-5-12-27/h3-4,6-9,13H,2,5,10-12H2,1H3,(H2,23,25)(H,24,28)