3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(4-methylphenyl)-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-methylphenyl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]-3-(p-tolyl)pyrazole-4-carboxamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC(C3=CC=CS3)N4CCOCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC[C@@H](C3=CC=CS3)N4CCOCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-21-9-11-23(12-10-21)27-24(20-32(30-27)19-22-6-3-2-4-7-22)28(33)29-18-25(26-8-5-17-35-26)31-13-15-34-16-14-31/h2-12,17,20,25H,13-16,18-19H2,1H3,(H,29,33)/t25-/m0/s1