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

Systemtic Name: 3-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-(3-pyridinylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-(3-pyridylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile Formula: C16H16N4 MolecularWeight: 264.32504

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C(N1)C=CC(=C2)C#N)CC3=CN=CC=C3

Isomeric SMILES

C1C(NCC2=C(N1)C=CC(=C2)C#N)CC3=CN=CC=C3

InChI

InChI=1S/C16H16N4/c17-8-12-3-4-16-14(6-12)10-19-15(11-20-16)7-13-2-1-5-18-9-13/h1-6,9,15,19-20H,7,10-11H2