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

Systemtic Name: 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Openeye Name: 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline CAS Name: 1-[6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline Traditional Name: 1-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline 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-])N4CCCC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])N4CCCC5=CC=CC=C54

InChI

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