3-methyl-2-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

Systemtic Name: 3-methyl-2-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: 3-methyl-2-nitro-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: 3-methyl-2-nitro-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 3-methyl-2-nitro-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: 3-methyl-2-nitro-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C22H22N4O3/c1-15-6-5-7-17(21(15)26(28)29)22(27)24-19-8-9-20(25-12-3-2-4-13-25)16-10-11-23-14-18(16)19/h5-11,14H,2-4,12-13H2,1H3,(H,24,27)