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

Systemtic Name: [1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C25H26N4OS2 MolecularWeight: 462.63014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C25H26N4OS2/c30-25(28-12-6-11-27(13-14-28)18-21-9-4-15-31-21)22-19-29(17-20-7-2-1-3-8-20)26-24(22)23-10-5-16-32-23/h1-5,7-10,15-16,19H,6,11-14,17-18H2