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

Systemtic Name: 11-[6-(azepan-2-yl)hex-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[6-(azepan-2-yl)hex-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[6-(2-azepanyl)hex-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[6-(azepan-2-yl)hex-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[6-(azepan-2-yl)hex-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C24H28N4O MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)CCCC#CCN2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

C1CCC(NCC1)CCCC#CCN2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C24H28N4O/c29-24-20-13-6-7-15-22(20)28(23-21(27-24)14-10-17-26-23)18-9-2-1-4-11-19-12-5-3-8-16-25-19/h6-7,10,13-15,17,19,25H,1,3-5,8,11-12,16,18H2,(H,27,29)