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

Systemtic Name: 3-nitro-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]-3-nitro-pyrido[1,2-a]pyrimidin-4-one CAS Name: 3-nitro-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 3-nitro-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[4-(4-isopropylbenzyl)piperazino]-3-nitro-pyrido[1,2-a]pyrimidin-4-one Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCN(CC2)C3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-16(2)18-8-6-17(7-9-18)15-24-11-13-25(14-12-24)21-20(27(29)30)22(28)26-10-4-3-5-19(26)23-21/h3-10,16H,11-15H2,1-2H3