1-azanyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-azanyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-amino-3-(3,3-dimethyl-2-oxo-butyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-amino-3-(3,3-dimethyl-2-oxobutyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-amino-3-(3,3-dimethyl-2-oxobutyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-amino-3-(2-keto-3,3-dimethyl-butyl)-5-(1H-pyrazol-5-yl)-3H-1,4-benzodiazepin-2-one Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=NN3)N

Isomeric SMILES

CC(C)(C)C(=O)CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=NN3)N

InChI

InChI=1S/C18H21N5O2/c1-18(2,3)15(24)10-13-17(25)23(19)14-7-5-4-6-11(14)16(21-13)12-8-9-20-22-12/h4-9,13H,10,19H2,1-3H3,(H,20,22)