4-(furan-2-ylcarbonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(furan-2-ylcarbonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(furan-2-carbonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-[2-furanyl(oxo)methyl]-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(furan-2-carbonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(2-furoyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)C(=O)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C#N)C(=O)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2/c23-13-17-8-9-20-18(11-17)15-25(22(26)21-7-4-10-27-21)19(14-24-20)12-16-5-2-1-3-6-16/h1-11,19,24H,12,14-15H2