(4S,5S)-5-methyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]-4,5-dihydroazepine-3-carbonitrile

Systemtic Name: (4S,5S)-5-methyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]-4,5-dihydroazepine-3-carbonitrile Openeye Name: (4S,5S)-1-benzyl-4-(benzylamino)-5-methyl-4,5-dihydroazepine-3-carbonitrile CAS Name: (4S,5S)-5-methyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]-4,5-dihydroazepine-3-carbonitrile IUPAC Name: (4S,5S)-1-benzyl-4-(benzylamino)-5-methyl-4,5-dihydroazepine-3-carbonitrile Traditional Name: (4S,5S)-1-benzyl-4-(benzylamino)-5-methyl-4,5-dihydroazepine-3-carbonitrile Formula: C22H23N3 MolecularWeight: 329.43812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CN(C=C(C1NCC2=CC=CC=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C=CN(C=C([C@H]1NCC2=CC=CC=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3/c1-18-12-13-25(16-20-10-6-3-7-11-20)17-21(14-23)22(18)24-15-19-8-4-2-5-9-19/h2-13,17-18,22,24H,15-16H2,1H3/t18-,22-/m0/s1