3-[[4-(diethylcarbamoyl)phenyl]-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide

Systemtic Name: 3-[[4-(diethylcarbamoyl)phenyl]-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]amino]benzamide Openeye Name: 3-[4-(diethylcarbamoyl)-N-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]anilino]benzamide CAS Name: 3-[4-[diethylamino(oxo)methyl]-N-[1-(1H-pyrrol-2-ylmethyl)-4-piperidinyl]anilino]benzamide IUPAC Name: 3-[4-(diethylcarbamoyl)-N-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]anilino]benzamide Traditional Name: 3-[4-(diethylcarbamoyl)-N-[1-(1H-pyrrol-2-ylmethyl)-4-piperidyl]anilino]benzamide Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2)CC3=CC=CN3)C4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2)CC3=CC=CN3)C4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C28H35N5O2/c1-3-32(4-2)28(35)21-10-12-24(13-11-21)33(26-9-5-7-22(19-26)27(29)34)25-14-17-31(18-15-25)20-23-8-6-16-30-23/h5-13,16,19,25,30H,3-4,14-15,17-18,20H2,1-2H3,(H2,29,34)