3-[5-[[bis(prop-2-enyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-7-chloranyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Systemtic Name: 3-[5-[[bis(prop-2-enyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-7-chloranyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Openeye Name: 7-chloro-3-[5-[(diallylamino)methyl]-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one CAS Name: 3-[5-[[bis(prop-2-enyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one IUPAC Name: 3-[5-[[bis(prop-2-enyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-7-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Traditional Name: 7-chloro-3-[5-[(diallylamino)methyl]-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C4=NOC(=N4)CN(CC=C)CC=C

Isomeric SMILES

CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C4=NOC(=N4)CN(CC=C)CC=C

InChI

InChI=1S/C21H21ClN6O2/c1-4-9-27(10-5-2)12-17-24-20(25-30-17)19-16-11-26(3)21(29)18-14(22)7-6-8-15(18)28(16)13-23-19/h4-8,13H,1-2,9-12H2,3H3