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

Systemtic Name: (4S,5R)-5-phenyl-4-phenylazanyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile Openeye Name: (4S,5R)-4-anilino-1-benzyl-5-phenyl-4,5-dihydroazepine-3-carbonitrile CAS Name: (4S,5R)-4-anilino-5-phenyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile IUPAC Name: (4S,5R)-4-anilino-1-benzyl-5-phenyl-4,5-dihydroazepine-3-carbonitrile Traditional Name: (4S,5R)-4-anilino-1-benzyl-5-phenyl-4,5-dihydroazepine-3-carbonitrile Formula: C26H23N3 MolecularWeight: 377.48092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(C(C(=C2)C#N)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C[C@@H]([C@@H](C(=C2)C#N)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3/c27-18-23-20-29(19-21-10-4-1-5-11-21)17-16-25(22-12-6-2-7-13-22)26(23)28-24-14-8-3-9-15-24/h1-17,20,25-26,28H,19H2/t25-,26-/m1/s1