11-[6-(4-propan-2-ylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[6-(4-propan-2-ylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[6-(4-isopropylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[1-oxo-6-(4-propan-2-yl-1-piperazinyl)hex-4-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[6-(4-propan-2-ylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[6-(4-isopropylpiperazino)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

CC(C)N1CCN(CC1)CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-19(2)29-17-15-28(16-18-29)14-7-3-4-12-23(31)30-22-11-6-5-9-20(22)25(32)27-21-10-8-13-26-24(21)30/h5-6,8-11,13,19H,4,12,14-18H2,1-2H3,(H,27,32)