hexanoic acid; 11H-pyrido[4,3-c][2]benzazepine

Systemtic Name: hexanoic acid; 11H-pyrido[4,3-c][2]benzazepine Openeye Name: hexanoic acid; 11H-pyrido[4,3-c][2]benzazepine CAS Name: hexanoic acid; 11H-pyrido[4,3-c][2]benzazepine IUPAC Name: hexanoic acid; 11H-pyrido[4,3-c][2]benzazepine Traditional Name: hexanoic acid; 11H-pyrido[4,3-c][2]benzazepine Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.C1C2=CC=CC=C2C=NC3=C1C=NC=C3

Isomeric SMILES

CCCCCC(=O)O.C1C2=CC=CC=C2C=NC3=C1C=NC=C3

InChI

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