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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)CCCC#CCN2C3=CC=CC=C3NC(=O)C4=C2N=CC=C4

Isomeric SMILES

C1CCC(NCC1)CCCC#CCN2C3=CC=CC=C3NC(=O)C4=C2N=CC=C4

InChI

InChI=1S/C24H28N4O/c29-24-20-13-10-17-26-23(20)28(22-15-7-6-14-21(22)27-24)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)