[4-(phenylmethyl)-1,4-diazepan-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]methanone Formula: C25H25N5OS MolecularWeight: 443.5639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5OS/c31-25(29-15-8-14-28(16-17-29)19-20-9-3-1-4-10-20)23-26-24(22-13-7-18-32-22)30(27-23)21-11-5-2-6-12-21/h1-7,9-13,18H,8,14-17,19H2