4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-(1-piperidyl)-8-isoquinolyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-(1-piperidinyl)-8-isoquinolinyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(5-piperidino-8-isoquinolyl)butyramide Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C25H25N5O5/c31-24(5-4-14-29-22-8-6-17(30(33)34)15-23(22)35-25(29)32)27-20-7-9-21(28-12-2-1-3-13-28)18-10-11-26-16-19(18)20/h6-11,15-16H,1-5,12-14H2,(H,27,31)