3-chloranyl-6-methyl-N'-(5-piperidin-1-ylpentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Systemtic Name: 3-chloranyl-6-methyl-N'-(5-piperidin-1-ylpentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-6-methyl-N'-[5-(1-piperidyl)pentanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-6-methyl-N'-[1-oxo-5-(1-piperidinyl)pentyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-6-methyl-N'-(5-piperidin-1-ylpentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-6-methyl-N'-(5-piperidinopentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C25H31ClN4O3 MolecularWeight: 470.99164

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCCN4CCCCC4)C=C(C=C3)Cl

Isomeric SMILES

CC1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCCN4CCCCC4)C=C(C=C3)Cl

InChI

InChI=1S/C25H31ClN4O3/c1-18-20-9-3-4-10-22(20)33-23-13-12-19(26)17-21(23)30(18)25(32)28-27-24(31)11-5-8-16-29-14-6-2-7-15-29/h3-4,9-10,12-13,17-18H,2,5-8,11,14-16H2,1H3,(H,27,31)(H,28,32)