2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H26N6O3/c1-33-21-8-6-20(7-9-21)27-12-14-28(15-13-27)23-22(30(31)32)24(26-17-25-23)29-11-10-18-4-2-3-5-19(18)16-29/h2-9,17H,10-16H2,1H3