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

Systemtic Name: 3-phenyl-7-phenylazanyl-5-piperidin-1-yl-1,4-thiazepine-6-carbonitrile Openeye Name: 7-anilino-3-phenyl-5-(1-piperidyl)-1,4-thiazepine-6-carbonitrile CAS Name: 7-anilino-3-phenyl-5-(1-piperidinyl)-1,4-thiazepine-6-carbonitrile IUPAC Name: 7-anilino-3-phenyl-5-piperidin-1-yl-1,4-thiazepine-6-carbonitrile Traditional Name: 7-anilino-3-phenyl-5-piperidino-1,4-thiazepine-6-carbonitrile Formula: C23H22N4S MolecularWeight: 386.51258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=CSC(=C2C#N)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4S/c24-16-20-22(27-14-8-3-9-15-27)26-21(18-10-4-1-5-11-18)17-28-23(20)25-19-12-6-2-7-13-19/h1-2,4-7,10-13,17,25H,3,8-9,14-15H2