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

Systemtic Name: (4S,5R)-5-phenyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]-4,5-dihydroazepine-3-carbonitrile Openeye Name: (4S,5R)-1-benzyl-4-(benzylamino)-5-phenyl-4,5-dihydroazepine-3-carbonitrile CAS Name: (4S,5R)-5-phenyl-1-(phenylmethyl)-4-[(phenylmethyl)amino]-4,5-dihydroazepine-3-carbonitrile IUPAC Name: (4S,5R)-1-benzyl-4-(benzylamino)-5-phenyl-4,5-dihydroazepine-3-carbonitrile Traditional Name: (4S,5R)-1-benzyl-4-(benzylamino)-5-phenyl-4,5-dihydroazepine-3-carbonitrile Formula: C27H25N3 MolecularWeight: 391.5075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2C(C=CN(C=C2C#N)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN[C@H]2[C@H](C=CN(C=C2C#N)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3/c28-18-25-21-30(20-23-12-6-2-7-13-23)17-16-26(24-14-8-3-9-15-24)27(25)29-19-22-10-4-1-5-11-22/h1-17,21,26-27,29H,19-20H2/t26-,27-/m1/s1