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

Systemtic Name: 11-[5-(azepan-2-yl)pent-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[5-(azepan-2-yl)pent-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[5-(2-azepanyl)pent-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[5-(azepan-2-yl)pent-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[5-(azepan-2-yl)pent-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C23H26N4O MolecularWeight: 374.47874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O/c28-23-19-12-5-6-14-21(19)27(22-20(26-23)13-9-16-25-22)17-8-2-4-11-18-10-3-1-7-15-24-18/h5-6,9,12-14,16,18,24H,1,3-4,7,10-11,15,17H2,(H,26,28)