[4-(phenylmethyl)-1,4-diazepan-1-yl]-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]methanone Formula: C27H28N4OS MolecularWeight: 456.60242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4OS/c32-27(30-15-8-14-29(16-17-30)19-22-9-3-1-4-10-22)24-21-31(20-23-11-5-2-6-12-23)28-26(24)25-13-7-18-33-25/h1-7,9-13,18,21H,8,14-17,19-20H2