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

Systemtic Name: N-[5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]thiophen-2-yl]cyclopropanecarboxamide Openeye Name: N-[5-(4-benzyl-1,4-diazepane-1-carbonyl)-2-thienyl]cyclopropanecarboxamide CAS Name: N-[5-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-2-thiophenyl]cyclopropanecarboxamide IUPAC Name: N-[5-(4-benzyl-1,4-diazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide Traditional Name: N-[5-(4-benzyl-1,4-diazepane-1-carbonyl)-2-thienyl]cyclopropanecarboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c25-20(17-7-8-17)22-19-10-9-18(27-19)21(26)24-12-4-11-23(13-14-24)15-16-5-2-1-3-6-16/h1-3,5-6,9-10,17H,4,7-8,11-15H2,(H,22,25)