N-[4-oxidanylidene-4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]butyl]thiophene-3-carboxamide Openeye Name: N-[4-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylamino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-oxo-4-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]butyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[(1-benzyl-3-phenyl-pyrazol-4-yl)methylamino]-4-keto-butyl]thiophene-3-carboxamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CCCNC(=O)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNC(=O)CCCNC(=O)C4=CSC=C4

InChI

InChI=1S/C26H26N4O2S/c31-24(12-7-14-27-26(32)22-13-15-33-19-22)28-16-23-18-30(17-20-8-3-1-4-9-20)29-25(23)21-10-5-2-6-11-21/h1-6,8-11,13,15,18-19H,7,12,14,16-17H2,(H,27,32)(H,28,31)