N-isoquinolin-5-yl-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-isoquinolin-5-yl-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(5-isoquinolyl)-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(5-isoquinolinyl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-isoquinolin-5-yl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-isoquinolyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c1-15-8-11-25(12-9-15)20-6-5-16(13-21(20)26(28)29)22(27)24-19-4-2-3-17-14-23-10-7-18(17)19/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,24,27)