N-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: N-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C30H27N7O2 MolecularWeight: 517.58108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H27N7O2/c38-37(39)28-29(34-26-15-7-14-25-24(26)13-8-16-31-25)32-21-33-30(28)36-19-17-35(18-20-36)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-16,21,27H,17-20H2,(H,32,33,34)