(8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (8-ethynyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C28H23N7O MolecularWeight: 473.52852

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=C4)C(=O)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C#CC1=CC2=C(C=C1)N3C=NC(=C3CN=C2C4=CC=CC=C4)C(=O)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C28H23N7O/c1-2-20-9-10-23-22(17-20)25(21-7-4-3-5-8-21)31-18-24-26(32-19-35(23)24)27(36)33-13-15-34(16-14-33)28-29-11-6-12-30-28/h1,3-12,17,19H,13-16,18H2