11-(2-methyl-8-piperidin-1-yl-oct-3-yn-2-yl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-(2-methyl-8-piperidin-1-yl-oct-3-yn-2-yl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[1,1-dimethyl-7-(1-piperidyl)hept-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[2-methyl-8-(1-piperidinyl)oct-3-yn-2-yl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-(2-methyl-8-piperidin-1-yloct-3-yn-2-yl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-(1,1-dimethyl-7-piperidino-hept-2-ynyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CCCCCN1CCCCC1)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

CC(C)(C#CCCCCN1CCCCC1)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C26H32N4O/c1-26(2,16-8-3-4-9-18-29-19-10-5-11-20-29)30-23-15-7-6-13-21(23)25(31)28-22-14-12-17-27-24(22)30/h6-7,12-15,17H,3-5,9-11,18-20H2,1-2H3,(H,28,31)