N-[2-[[6-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[6-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(3-methyl-2-nitro-benzoyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C26H29N7O4 MolecularWeight: 503.55296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC(=NC(=N3)C4=CC=CC=C4)NCCNC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC(=NC(=N3)C4=CC=CC=C4)NCCNC(=O)C

InChI

InChI=1S/C26H29N7O4/c1-18-7-6-10-21(24(18)33(36)37)26(35)32-15-13-31(14-16-32)23-17-22(28-12-11-27-19(2)34)29-25(30-23)20-8-4-3-5-9-20/h3-10,17H,11-16H2,1-2H3,(H,27,34)(H,28,29,30)