N-phenyl-5-pyrrolidin-1-yl-2,3-dihydro-1-benzothiepine-4-carboxamide

Systemtic Name: N-phenyl-5-pyrrolidin-1-yl-2,3-dihydro-1-benzothiepine-4-carboxamide Openeye Name: N-phenyl-5-pyrrolidin-1-yl-2,3-dihydro-1-benzothiepine-4-carboxamide CAS Name: N-phenyl-5-(1-pyrrolidinyl)-2,3-dihydro-1-benzothiepin-4-carboxamide IUPAC Name: N-phenyl-5-pyrrolidin-1-yl-2,3-dihydro-1-benzothiepine-4-carboxamide Traditional Name: N-phenyl-5-pyrrolidino-2,3-dihydro-1-benzothiepin-4-carboxamide Formula: C21H22N2OS MolecularWeight: 350.47718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(CCSC3=CC=CC=C32)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(CCSC3=CC=CC=C32)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N2OS/c24-21(22-16-8-2-1-3-9-16)18-12-15-25-19-11-5-4-10-17(19)20(18)23-13-6-7-14-23/h1-5,8-11H,6-7,12-15H2,(H,22,24)