3-(1,2-diazepan-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(1,2-diazepan-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(diazepan-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(1-diazepanylmethyl)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(diazepan-1-ylmethyl)-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(diazepan-1-ylmethyl)-2-phenyl-cinchoninic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCNN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H23N3O2/c26-22(27)20-17-11-5-6-12-19(17)24-21(16-9-3-1-4-10-16)18(20)15-25-14-8-2-7-13-23-25/h1,3-6,9-12,23H,2,7-8,13-15H2,(H,26,27)