5-(2-aminocarbonylhydrazinyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-azepino[3,4-b]indole-7-carboxamide

Systemtic Name: 5-(2-aminocarbonylhydrazinyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-azepino[3,4-b]indole-7-carboxamide Openeye Name: 5-(2-carbamoylhydrazino)-1-oxo-N-(3-pyridylmethyl)-3,4-dihydro-2H-azepino[3,4-b]indole-7-carboxamide CAS Name: 5-(carbamoylhydrazo)-1-oxo-N-(3-pyridinylmethyl)-3,4-dihydro-2H-azepino[3,4-b]indole-7-carboxamide IUPAC Name: 5-(2-carbamoylhydrazinyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-azepino[3,4-b]indole-7-carboxamide Traditional Name: 1-keto-N-(3-pyridylmethyl)-5-semicarbazido-3,4-dihydro-2H-azepin[3,4-b]indole-7-carboxamide Formula: C20H19N7O3 MolecularWeight: 405.40996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=NC3=C(C2=C1NNC(=O)N)C=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CNC(=O)C2=NC3=C(C2=C1NNC(=O)N)C=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H19N7O3/c21-20(30)27-26-15-5-7-23-19(29)17-16(15)13-8-12(3-4-14(13)25-17)18(28)24-10-11-2-1-6-22-9-11/h1-4,6,8-9,26H,5,7,10H2,(H,23,29)(H,24,28)(H3,21,27,30)