4-[[4-(4-ethanoylpiperazin-1-yl)-5-nitro-pyrimidin-2-yl]amino]-N-(phenylmethyl)benzamide

Systemtic Name: 4-[[4-(4-ethanoylpiperazin-1-yl)-5-nitro-pyrimidin-2-yl]amino]-N-(phenylmethyl)benzamide Openeye Name: 4-[[4-(4-acetylpiperazin-1-yl)-5-nitro-pyrimidin-2-yl]amino]-N-benzyl-benzamide CAS Name: 4-[[4-(4-acetyl-1-piperazinyl)-5-nitro-2-pyrimidinyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: 4-[[4-(4-acetylpiperazin-1-yl)-5-nitropyrimidin-2-yl]amino]-N-benzylbenzamide Traditional Name: 4-[[4-(4-acetylpiperazino)-5-nitro-pyrimidin-2-yl]amino]-N-benzyl-benzamide Formula: C24H25N7O4 MolecularWeight: 475.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H25N7O4/c1-17(32)29-11-13-30(14-12-29)22-21(31(34)35)16-26-24(28-22)27-20-9-7-19(8-10-20)23(33)25-15-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,25,33)(H,26,27,28)