2-[4-(2-azanylethylamino)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 2-[4-(2-azanylethylamino)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 2-[4-(2-aminoethylamino)phenyl]-1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 2-[4-(2-aminoethylamino)phenyl]-1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 2-[4-(2-aminoethylamino)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 2-[4-(2-aminoethylamino)phenyl]-1-cyclopropyl-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=C(C(=C(C2=O)C(=O)O)C3=CC=C(C=C3)NCCN)C4CC4

Isomeric SMILES

CC1=CC=CN2C1=C(C(=C(C2=O)C(=O)O)C3=CC=C(C=C3)NCCN)C4CC4

InChI

InChI=1S/C22H23N3O3/c1-13-3-2-12-25-20(13)18(15-4-5-15)17(19(21(25)26)22(27)28)14-6-8-16(9-7-14)24-11-10-23/h2-3,6-9,12,15,24H,4-5,10-11,23H2,1H3,(H,27,28)