4-(3-methylpiperidin-1-yl)-N-(5-morpholin-4-ylpyridin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(3-methylpiperidin-1-yl)-N-(5-morpholin-4-ylpyridin-2-yl)-3-nitro-benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-N-(5-morpholino-2-pyridyl)-3-nitro-benzamide CAS Name: 4-(3-methyl-1-piperidinyl)-N-[5-(4-morpholinyl)-2-pyridinyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-N-(5-morpholin-4-ylpyridin-2-yl)-3-nitrobenzamide Traditional Name: 4-(3-methylpiperidino)-N-(5-morpholino-2-pyridyl)-3-nitro-benzamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-16-3-2-8-26(15-16)19-6-4-17(13-20(19)27(29)30)22(28)24-21-7-5-18(14-23-21)25-9-11-31-12-10-25/h4-7,13-14,16H,2-3,8-12,15H2,1H3,(H,23,24,28)