5,5-bis(3-nitrophenyl)-N-(4-pyrimidin-5-ylbutyl)pent-4-en-1-amine

Systemtic Name: 5,5-bis(3-nitrophenyl)-N-(4-pyrimidin-5-ylbutyl)pent-4-en-1-amine Openeye Name: 5,5-bis(3-nitrophenyl)-N-(4-pyrimidin-5-ylbutyl)pent-4-en-1-amine CAS Name: 5,5-bis(3-nitrophenyl)-N-[4-(5-pyrimidinyl)butyl]-4-penten-1-amine IUPAC Name: 5,5-bis(3-nitrophenyl)-N-(4-pyrimidin-5-ylbutyl)pent-4-en-1-amine Traditional Name: 5,5-bis(3-nitrophenyl)pent-4-enyl-[4-(5-pyrimidyl)butyl]amine Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CCCCNCCCCC2=CN=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CCCCNCCCCC2=CN=CN=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4/c31-29(32)23-10-5-8-21(15-23)25(22-9-6-11-24(16-22)30(33)34)12-2-4-14-26-13-3-1-7-20-17-27-19-28-18-20/h5-6,8-12,15-19,26H,1-4,7,13-14H2