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

Systemtic Name: (4S,5S)-5-methyl-4-phenylazanyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile Openeye Name: (4S,5S)-4-anilino-1-benzyl-5-methyl-4,5-dihydroazepine-3-carbonitrile CAS Name: (4S,5S)-4-anilino-5-methyl-1-(phenylmethyl)-4,5-dihydroazepine-3-carbonitrile IUPAC Name: (4S,5S)-4-anilino-1-benzyl-5-methyl-4,5-dihydroazepine-3-carbonitrile Traditional Name: (4S,5S)-4-anilino-1-benzyl-5-methyl-4,5-dihydroazepine-3-carbonitrile Formula: C21H21N3 MolecularWeight: 315.41154

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CN(C=C(C1NC2=CC=CC=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C=CN(C=C([C@H]1NC2=CC=CC=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3/c1-17-12-13-24(15-18-8-4-2-5-9-18)16-19(14-22)21(17)23-20-10-6-3-7-11-20/h2-13,16-17,21,23H,15H2,1H3/t17-,21-/m0/s1