3-[3-[4-(1-methylpyrrol-2-yl)carbonyl-3-morpholin-4-ylcarbonyl-piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-[4-(1-methylpyrrol-2-yl)carbonyl-3-morpholin-4-ylcarbonyl-piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-[4-(1-methylpyrrole-2-carbonyl)-3-(morpholine-4-carbonyl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 3-[3-[4-[(1-methyl-2-pyrrolyl)-oxomethyl]-3-[4-morpholinyl(oxo)methyl]-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[3-[4-(1-methylpyrrole-2-carbonyl)-3-(morpholine-4-carbonyl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3-[3-[4-(1-methylpyrrole-2-carbonyl)-3-(morpholine-4-carbonyl)piperazino]propoxy]benzonitrile Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCN(CC2C(=O)N3CCOCC3)CCCOC4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCN(CC2C(=O)N3CCOCC3)CCCOC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H31N5O4/c1-27-8-3-7-22(27)25(32)30-11-10-28(19-23(30)24(31)29-12-15-33-16-13-29)9-4-14-34-21-6-2-5-20(17-21)18-26/h2-3,5-8,17,23H,4,9-16,19H2,1H3