hexanoic acid; 11H-pyrido[3,4-c][1]benzazepine

Systemtic Name: hexanoic acid; 11H-pyrido[3,4-c][1]benzazepine Openeye Name: hexanoic acid; 11H-pyrido[3,4-c][1]benzazepine CAS Name: hexanoic acid; 11H-pyrido[3,4-c][1]benzazepine IUPAC Name: hexanoic acid; 11H-pyrido[3,4-c][1]benzazepine Traditional Name: hexanoic acid; 11H-pyrido[3,4-c][1]benzazepine Formula: C19H22N2O2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.C1C2=C(C=NC=C2)C=NC3=CC=CC=C31

Isomeric SMILES

CCCCCC(=O)O.C1C2=C(C=NC=C2)C=NC3=CC=CC=C31

InChI

InChI=1S/C13H10N2.C6H12O2/c1-2-4-13-11(3-1)7-10-5-6-14-8-12(10)9-15-13;1-2-3-4-5-6(7)8/h1-6,8-9H,7H2;2-5H2,1H3,(H,7,8)