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

Systemtic Name: 5-chloranyl-3-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-3-methyl-N-[(2S)-2-morpholino-2-(2-thienyl)ethyl]pyrazole-4-carboxamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC(C2=CC=CS2)N3CCOCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC[C@@H](C2=CC=CS2)N3CCOCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4O2S/c1-16-20(21(23)27(25-16)15-17-6-3-2-4-7-17)22(28)24-14-18(19-8-5-13-30-19)26-9-11-29-12-10-26/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,28)/t18-/m0/s1