(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone

Systemtic Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone Openeye Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone CAS Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-methyl-1-piperazinyl)methanone IUPAC Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-methylpiperazin-1-yl)methanone Traditional Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-methylpiperazino)methanone Formula: C25H23N5O MolecularWeight: 409.48302

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C3CN=C(C4=C(N3C=N2)C=CC(=C4)C#C)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C3CN=C(C4=C(N3C=N2)C=CC(=C4)C#C)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O/c1-3-18-9-10-21-20(15-18)23(19-7-5-4-6-8-19)26-16-22-24(27-17-30(21)22)25(31)29-13-11-28(2)12-14-29/h1,4-10,15,17H,11-14,16H2,2H3