N-(cyclopropylmethyl)-2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(cyclopropylmethyl)-2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-(cyclopropylmethyl)-2-[4-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazin-1-yl]acetamide CAS Name: N-(cyclopropylmethyl)-2-[4-[[5-(2-nitrophenyl)-2-thiophenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(cyclopropylmethyl)-2-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-(cyclopropylmethyl)-2-[4-[[5-(2-nitrophenyl)-2-thienyl]methyl]piperazino]acetamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)CN2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC1CNC(=O)CN2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3S/c26-21(22-13-16-5-6-16)15-24-11-9-23(10-12-24)14-17-7-8-20(29-17)18-3-1-2-4-19(18)25(27)28/h1-4,7-8,16H,5-6,9-15H2,(H,22,26)