6-oxidanylidene-N-(4-piperidin-1-ylbut-2-ynyl)-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

Systemtic Name: 6-oxidanylidene-N-(4-piperidin-1-ylbut-2-ynyl)-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Openeye Name: 6-oxo-N-[4-(1-piperidyl)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide CAS Name: 6-oxo-N-[4-(1-piperidinyl)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide IUPAC Name: 6-oxo-N-(4-piperidin-1-ylbut-2-ynyl)-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Traditional Name: 6-keto-N-(4-piperidinobut-2-ynyl)-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

C1CCN(CC1)CC#CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C22H23N5O2/c28-21-17-9-2-3-11-19(17)27(20-18(25-21)10-8-13-23-20)22(29)24-12-4-7-16-26-14-5-1-6-15-26/h2-3,8-11,13H,1,5-6,12,14-16H2,(H,24,29)(H,25,28)