1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C21H21N5 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1C(NCC2=C(N1CC3=CN=CN3)C=CC(=C2)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5/c22-10-17-6-7-21-18(8-17)11-24-19(9-16-4-2-1-3-5-16)13-26(21)14-20-12-23-15-25-20/h1-8,12,15,19,24H,9,11,13-14H2,(H,23,25)