N-[4-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C29H29N7O3 MolecularWeight: 523.58566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N7O3/c1-21(37)32-24-12-14-25(15-13-24)33-28-27(36(38)39)29(31-20-30-28)35-18-16-34(17-19-35)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20,26H,16-19H2,1H3,(H,32,37)(H,30,31,33)