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

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

CC(C)(C#CCCCN1CCCCC1)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

CC(C)(C#CCCCN1CCCCC1)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C25H30N4O/c1-25(2,15-7-3-8-17-28-18-9-4-10-19-28)29-22-14-6-5-12-20(22)24(30)27-21-13-11-16-26-23(21)29/h5-6,11-14,16H,3-4,8-10,17-19H2,1-2H3,(H,27,30)