6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-imidazol-1-ylphenyl)methanone

Systemtic Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-imidazol-1-ylphenyl)methanone Openeye Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-imidazol-1-ylphenyl)methanone CAS Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(1-imidazolyl)phenyl]methanone IUPAC Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-imidazol-1-ylphenyl)methanone Traditional Name: 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-(4-imidazol-1-ylphenyl)methanone Formula: C22H18N4O MolecularWeight: 354.40452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C22H18N4O/c27-22(17-7-9-19(10-8-17)25-13-11-23-16-25)26-15-20-5-3-12-24(20)14-18-4-1-2-6-21(18)26/h1-13,16H,14-15H2