3-(1-methylindol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 3-(1-methylindol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 3-(1-methylindol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 3-(1-methyl-3-indolyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 3-(1-methylindol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 3-(1-methylindol-3-yl)-1-[4-(4-nitrophenyl)piperazino]-3-(3-thienyl)propan-1-one Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CSC=C5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CSC=C5

InChI

InChI=1S/C26H26N4O3S/c1-27-17-24(22-4-2-3-5-25(22)27)23(19-10-15-34-18-19)16-26(31)29-13-11-28(12-14-29)20-6-8-21(9-7-20)30(32)33/h2-10,15,17-18,23H,11-14,16H2,1H3