N-[4-[[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[oxo-(1-phenyl-5-propyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(1-phenyl-5-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H33N5O2/c1-3-8-26-25(19-28-32(26)24-9-5-4-6-10-24)27(34)31-16-7-15-30(17-18-31)20-22-11-13-23(14-12-22)29-21(2)33/h4-6,9-14,19H,3,7-8,15-18,20H2,1-2H3,(H,29,33)