5-(4-methoxyphenyl)-N-methyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-(4-methoxyphenyl)-N-methyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(4-methoxyphenyl)-N-methyl-3-(2-thienyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 5-(4-methoxyphenyl)-N-methyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-(4-methoxyphenyl)-N-methyl-3-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(4-methoxyphenyl)-3-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]-methyl-amine Formula: C21H19N3OS MolecularWeight: 361.46006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=CC=CC=C2C(=NC1C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CNC1=NC2=CC=CC=C2C(=NC1C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N3OS/c1-22-21-20(18-8-5-13-26-18)24-19(14-9-11-15(25-2)12-10-14)16-6-3-4-7-17(16)23-21/h3-13,20H,1-2H3,(H,22,23)