1-(1,4-diazepan-1-ylmethyl)-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 1-(1,4-diazepan-1-ylmethyl)-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-(1,4-diazepan-1-ylmethyl)-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-(1,4-diazepan-1-ylmethyl)-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-(1,4-diazepan-1-ylmethyl)-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-(1,4-diazepan-1-ylmethyl)-4-keto-quinolizine-3-carboxylic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O

Isomeric SMILES

C1CNCCN(C1)CC2=C3C=CC=CN3C(=O)C(=C2)C(=O)O

InChI

InChI=1S/C16H19N3O3/c20-15-13(16(21)22)10-12(14-4-1-2-8-19(14)15)11-18-7-3-5-17-6-9-18/h1-2,4,8,10,17H,3,5-7,9,11H2,(H,21,22)