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

Systemtic Name: 3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(4-benzylpiperazin-1-yl)-3-phenyl-propan-1-one CAS Name: 3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-1-one Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(4-benzylpiperazino)-3-phenyl-propan-1-one Formula: C35H34N4O3 MolecularWeight: 558.66946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CN(C5=C4C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CN(C5=C4C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

InChI

InChI=1S/C35H34N4O3/c40-35(37-20-18-36(19-21-37)24-27-10-4-1-5-11-27)23-31(29-14-8-3-9-15-29)33-26-38(25-28-12-6-2-7-13-28)34-17-16-30(39(41)42)22-32(33)34/h1-17,22,26,31H,18-21,23-25H2