4-phenylazanyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile

Systemtic Name: 4-phenylazanyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile Openeye Name: 4-anilino-1-benzyl-4,5-dihydroazepine-3-carbonitrile CAS Name: 4-anilino-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile IUPAC Name: 4-anilino-1-benzyl-4,5-dihydroazepine-3-carbonitrile Traditional Name: 4-anilino-1-benzyl-4,5-dihydroazepine-3-carbonitrile Formula: C20H19N3 MolecularWeight: 301.38496

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C=C(C1NC2=CC=CC=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C=CN(C=C(C1NC2=CC=CC=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3/c21-14-18-16-23(15-17-8-3-1-4-9-17)13-7-12-20(18)22-19-10-5-2-6-11-19/h1-11,13,16,20,22H,12,15H2