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

Systemtic Name: 11-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[4-(4-methyl-1-piperazinyl)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[4-(4-methylpiperazino)but-2-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CCN2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC#CCN2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C21H23N5O/c1-24-13-15-25(16-14-24)11-4-5-12-26-19-9-3-2-7-17(19)21(27)23-18-8-6-10-22-20(18)26/h2-3,6-10H,11-16H2,1H3,(H,23,27)