4-butanoyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-butanoyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 4-butanoyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-(1-oxobutyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 4-butanoyl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 4-butyryl-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(C2=C(C1)C=C(C=C2)C#N)CC3=CN=CN3

Isomeric SMILES

CCCC(=O)N1CCN(C2=C(C1)C=C(C=C2)C#N)CC3=CN=CN3

InChI

InChI=1S/C18H21N5O/c1-2-3-18(24)23-7-6-22(12-16-10-20-13-21-16)17-5-4-14(9-19)8-15(17)11-23/h4-5,8,10,13H,2-3,6-7,11-12H2,1H3,(H,20,21)