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

Systemtic Name: 11-[6-(azepan-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[6-(azepan-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[6-(1-azepanyl)-1-oxohex-4-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[6-(azepan-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[6-(azepan-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

C1CCCN(CC1)CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C24H26N4O2/c29-22(14-4-3-9-18-27-16-7-1-2-8-17-27)28-21-13-6-5-11-19(21)24(30)26-20-12-10-15-25-23(20)28/h5-6,10-13,15H,1-2,4,7-8,14,16-18H2,(H,26,30)