N-(2-methylpropyl)-N-[2-oxidanylidene-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-(2-methylpropyl)-N-[2-oxidanylidene-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-isobutyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-(2-methylpropyl)-N-[2-oxo-2-[4-(6-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-(2-methylpropyl)-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-isobutyl-N-[2-keto-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]thiophene-2-carboxamide Formula: C26H31N5O2S MolecularWeight: 477.62164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N1CCCN(CC1)C2=NN=C(C=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)CN(CC(=O)N1CCCN(CC1)C2=NN=C(C=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H31N5O2S/c1-20(2)18-31(26(33)23-10-6-17-34-23)19-25(32)30-14-7-13-29(15-16-30)24-12-11-22(27-28-24)21-8-4-3-5-9-21/h3-6,8-12,17,20H,7,13-16,18-19H2,1-2H3