N,N-diethyl-2-[[2-oxidanylidene-1-phenethyl-4-[(3-thiophen-3-yl-1H-pyrazol-5-yl)carbonyl]-1,4-diazepan-6-yl]oxy]ethanamide

Systemtic Name: N,N-diethyl-2-[[2-oxidanylidene-1-phenethyl-4-[(3-thiophen-3-yl-1H-pyrazol-5-yl)carbonyl]-1,4-diazepan-6-yl]oxy]ethanamide Openeye Name: N,N-diethyl-2-[[2-oxo-1-phenethyl-4-[3-(3-thienyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-6-yl]oxy]acetamide CAS Name: N,N-diethyl-2-[[2-oxo-4-[oxo-[3-(3-thiophenyl)-1H-pyrazol-5-yl]methyl]-1-phenethyl-1,4-diazepan-6-yl]oxy]acetamide IUPAC Name: N,N-diethyl-2-[[2-oxo-1-phenethyl-4-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-1,4-diazepan-6-yl]oxy]acetamide Traditional Name: N,N-diethyl-2-[[2-keto-1-phenethyl-4-[3-(3-thienyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-6-yl]oxy]acetamide Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)C3=CC(=NN3)C4=CSC=C4

Isomeric SMILES

CCN(CC)C(=O)COC1CN(CC(=O)N(C1)CCC2=CC=CC=C2)C(=O)C3=CC(=NN3)C4=CSC=C4

InChI

InChI=1S/C27H33N5O4S/c1-3-30(4-2)26(34)18-36-22-15-31(12-10-20-8-6-5-7-9-20)25(33)17-32(16-22)27(35)24-14-23(28-29-24)21-11-13-37-19-21/h5-9,11,13-14,19,22H,3-4,10,12,15-18H2,1-2H3,(H,28,29)