3-phenyl-7-phenylazanyl-5-pyrrolidin-1-yl-1,4-thiazepine-6-carbonitrile

Systemtic Name: 3-phenyl-7-phenylazanyl-5-pyrrolidin-1-yl-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-3-phenyl-5-pyrrolidin-1-yl-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-phenyl-5-(1-pyrrolidinyl)-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-3-phenyl-5-pyrrolidin-1-yl-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-3-phenyl-5-pyrrolidino-1,4-thiazepine-6-carbonitrile Formula: C22H20N4S MolecularWeight: 372.486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4S/c23-15-19-21(26-13-7-8-14-26)25-20(17-9-3-1-4-10-17)16-27-22(19)24-18-11-5-2-6-12-18/h1-6,9-12,16,24H,7-8,13-14H2