N-[2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methylamino]ethyl]thiophene-2-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNCCNC(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNCCNC(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O3S/c23-18(16-2-1-7-26-16)20-6-5-19-9-13-10-21-22-17(13)12-3-4-14-15(8-12)25-11-24-14/h1-4,7-8,10,19H,5-6,9,11H2,(H,20,23)(H,21,22)