4-piperidin-1-ylbut-2-ynyl 6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxylate

Systemtic Name: 4-piperidin-1-ylbut-2-ynyl 6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxylate Openeye Name: 4-(1-piperidyl)but-2-ynyl 6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxylate CAS Name: 6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxylic acid 4-(1-piperidinyl)but-2-ynyl ester IUPAC Name: 4-piperidin-1-ylbut-2-ynyl 6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxylate Traditional Name: 6-keto-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxylic acid 4-piperidinobut-2-ynyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c27-21-17-9-2-3-11-19(17)26(20-18(24-21)10-8-12-23-20)22(28)29-16-7-6-15-25-13-4-1-5-14-25/h2-3,8-12H,1,4-5,13-16H2,(H,24,27)