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

Systemtic Name: 3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(4-benzyl-1-piperidyl)-3-phenyl-propan-1-one CAS Name: 3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-1-one Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(4-benzylpiperidino)-3-phenyl-propan-1-one Formula: C36H35N3O3 MolecularWeight: 557.6814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=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(CCC1CC2=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/C36H35N3O3/c40-36(37-20-18-28(19-21-37)22-27-10-4-1-5-11-27)24-32(30-14-8-3-9-15-30)34-26-38(25-29-12-6-2-7-13-29)35-17-16-31(39(41)42)23-33(34)35/h1-17,23,26,28,32H,18-22,24-25H2