11-[6-[methyl-(4-oxidanylcyclohexyl)amino]hex-2-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[6-[methyl-(4-oxidanylcyclohexyl)amino]hex-2-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[6-[(4-hydroxycyclohexyl)-methyl-amino]hex-2-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[6-[(4-hydroxycyclohexyl)-methylamino]-1-oxohex-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[6-[(4-hydroxycyclohexyl)-methylamino]hex-2-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[6-[(4-hydroxycyclohexyl)-methyl-amino]hex-2-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC#CC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)C4CCC(CC4)O

Isomeric SMILES

CN(CCCC#CC(=O)N1C2=CC=CC=C2C(=O)NC3=C1N=CC=C3)C4CCC(CC4)O

InChI

InChI=1S/C25H28N4O3/c1-28(18-12-14-19(30)15-13-18)17-6-2-3-11-23(31)29-22-10-5-4-8-20(22)25(32)27-21-9-7-16-26-24(21)29/h4-5,7-10,16,18-19,30H,2,6,12-15,17H2,1H3,(H,27,32)