N-[[3-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-ethanamide

Systemtic Name: N-[[3-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-N-[[3-[2-(3-nitroanilino)pyrimidin-4-yl]phenyl]methyl]acetamide CAS Name: N-[[3-[2-(3-nitroanilino)-4-pyrimidinyl]phenyl]methyl]-N-propan-2-ylacetamide IUPAC Name: N-[[3-[2-(3-nitroanilino)pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-N-[3-[2-(3-nitroanilino)pyrimidin-4-yl]benzyl]acetamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(C)N(CC1=CC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C22H23N5O3/c1-15(2)26(16(3)28)14-17-6-4-7-18(12-17)21-10-11-23-22(25-21)24-19-8-5-9-20(13-19)27(29)30/h4-13,15H,14H2,1-3H3,(H,23,24,25)