N-[5-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]thiophen-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[5-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]thiophen-2-yl]cyclopropanecarboxamide Openeye Name: N-[5-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-thienyl]cyclopropanecarboxamide CAS Name: N-[5-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-2-thiophenyl]cyclopropanecarboxamide IUPAC Name: N-[5-[4-[(4-cyanophenyl)methyl]-1,4-diazepane-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide Traditional Name: N-[5-[4-(4-cyanobenzyl)-1,4-diazepane-1-carbonyl]-2-thienyl]cyclopropanecarboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(S2)NC(=O)C3CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(S2)NC(=O)C3CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N4O2S/c23-14-16-2-4-17(5-3-16)15-25-10-1-11-26(13-12-25)22(28)19-8-9-20(29-19)24-21(27)18-6-7-18/h2-5,8-9,18H,1,6-7,10-13,15H2,(H,24,27)