2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-nitro-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C23H27N5O4 MolecularWeight: 437.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H27N5O4/c29-21-19(28(31)32)20(24-18-3-1-2-4-27(18)21)25-5-7-26(8-6-25)22(30)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17H,5-14H2