4-(azepan-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-nitro-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCC4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c22-13-16-15-6-5-7-19(15)29-21(16)23-20(26)14-8-9-17(18(12-14)25(27)28)24-10-3-1-2-4-11-24/h8-9,12H,1-7,10-11H2,(H,23,26)