9-methyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carbonitrile

Systemtic Name: 9-methyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carbonitrile Openeye Name: 9-methyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carbonitrile CAS Name: 9-methyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carbonitrile IUPAC Name: 9-methyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carbonitrile Traditional Name: 9-methyl-4-phenyl-3,5-dihydro-1,3,4-benzotriazepine-2-carbonitrile Formula: C16H14N4 MolecularWeight: 262.30916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(NN(C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(NN(C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C16H14N4/c1-12-6-5-7-13-11-20(14-8-3-2-4-9-14)19-15(10-17)18-16(12)13/h2-9H,11H2,1H3,(H,18,19)