1,3-dimethyl-10-(2-methyl-7-piperidin-1-yl-hept-3-yn-2-yl)-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

Systemtic Name: 1,3-dimethyl-10-(2-methyl-7-piperidin-1-yl-hept-3-yn-2-yl)-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one Openeye Name: 10-[1,1-dimethyl-6-(1-piperidyl)hex-2-ynyl]-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one CAS Name: 1,3-dimethyl-10-[2-methyl-7-(1-piperidinyl)hept-3-yn-2-yl]-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one IUPAC Name: 1,3-dimethyl-10-(2-methyl-7-piperidin-1-ylhept-3-yn-2-yl)-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one Traditional Name: 10-(1,1-dimethyl-6-piperidino-hex-2-ynyl)-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one Formula: C26H34N4O MolecularWeight: 418.57436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1N(C3=CC=CC=C3NC2=O)C(C)(C)C#CCCCN4CCCCC4)C

Isomeric SMILES

CC1=CN(C2=C1N(C3=CC=CC=C3NC2=O)C(C)(C)C#CCCCN4CCCCC4)C

InChI

InChI=1S/C26H34N4O/c1-20-19-28(4)24-23(20)30(22-14-8-7-13-21(22)27-25(24)31)26(2,3)15-9-5-10-16-29-17-11-6-12-18-29/h7-8,13-14,19H,5-6,10-12,16-18H2,1-4H3,(H,27,31)