2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-5-piperidin-1-yl-benzamide

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-5-piperidin-1-yl-benzamide Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-5-(1-piperidyl)benzamide CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylamino]-5-(1-piperidinyl)benzamide IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-5-piperidin-1-ylbenzamide Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylamino]-5-piperidino-benzamide Formula: C21H22BrN5O2 MolecularWeight: 456.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)NCC3=CC(=O)N4C=C(C=CC4=N3)Br)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)NCC3=CC(=O)N4C=C(C=CC4=N3)Br)C(=O)N

InChI

InChI=1S/C21H22BrN5O2/c22-14-4-7-19-25-15(10-20(28)27(19)13-14)12-24-18-6-5-16(11-17(18)21(23)29)26-8-2-1-3-9-26/h4-7,10-11,13,24H,1-3,8-9,12H2,(H2,23,29)