4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-isopropylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(4-isopropylphenoxy)-5-nitro-pyrimidine Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5O3/c1-22(2)23-13-15-26(16-14-23)38-30-28(35(36)37)29(31-21-32-30)34-19-17-33(18-20-34)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,21-22,27H,17-20H2,1-2H3