1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propan-1-one Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-1-propanone IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-[4-(2-fluorophenyl)piperazino]-3-phenyl-propan-1-one Formula: C34H31FN4O3 MolecularWeight: 562.633343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CC(C3=CC=CC=C3)C4=CN(C5=C4C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CC(C3=CC=CC=C3)C4=CN(C5=C4C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

InChI

InChI=1S/C34H31FN4O3/c35-31-13-7-8-14-33(31)36-17-19-37(20-18-36)34(40)22-28(26-11-5-2-6-12-26)30-24-38(23-25-9-3-1-4-10-25)32-16-15-27(39(41)42)21-29(30)32/h1-16,21,24,28H,17-20,22-23H2