11-[7-(azepan-2-yl)hept-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[7-(azepan-2-yl)hept-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[7-(azepan-2-yl)hept-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[7-(2-azepanyl)hept-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[7-(azepan-2-yl)hept-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[7-(azepan-2-yl)hept-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c30-25-21-14-7-8-16-23(21)29(24-22(28-25)15-11-18-27-24)19-10-3-1-2-5-12-20-13-6-4-9-17-26-20/h7-8,11,14-16,18,20,26H,1-2,4-6,9,12-13,17,19H2,(H,28,30)