N-(1-cyclopropylpiperidin-4-yl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(1-cyclopropylpiperidin-4-yl)-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(1-cyclopropyl-4-piperidyl)-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(1-cyclopropyl-4-piperidinyl)-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(1-cyclopropyl-4-piperidyl)-3-nitro-benzamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4/c1-15(27)23-10-12-25(13-11-23)19-5-2-16(14-20(19)26(29)30)21(28)22-17-6-8-24(9-7-17)18-3-4-18/h2,5,14,17-18H,3-4,6-13H2,1H3,(H,22,28)