N1-[4-[(1-ethylpyrazol-4-yl)-methyl-amino]-3-oxidanyl-4-phenyl-butan-2-yl]-N3-methyl-N3-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

Systemtic Name: N1-[4-[(1-ethylpyrazol-4-yl)-methyl-amino]-3-oxidanyl-4-phenyl-butan-2-yl]-N3-methyl-N3-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide Openeye Name: N1-[3-[(1-ethylpyrazol-4-yl)-methyl-amino]-2-hydroxy-1-methyl-3-phenyl-propyl]-N3-methyl-N3-[(4-methylthiazol-2-yl)methyl]benzene-1,3-dicarboxamide CAS Name: N1-[4-[(1-ethyl-4-pyrazolyl)-methylamino]-3-hydroxy-4-phenylbutan-2-yl]-N3-methyl-N3-[(4-methyl-2-thiazolyl)methyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[(1-ethylpyrazol-4-yl)-methylamino]-3-hydroxy-4-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide Traditional Name: N-[3-[(1-ethylpyrazol-4-yl)-methyl-amino]-2-hydroxy-1-methyl-3-phenyl-propyl]-N'-methyl-N'-[(4-methylthiazol-2-yl)methyl]isophthalamide Formula: C30H36N6O3S MolecularWeight: 560.71024

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)N(C)C(C2=CC=CC=C2)C(C(C)NC(=O)C3=CC(=CC=C3)C(=O)N(C)CC4=NC(=CS4)C)O

Isomeric SMILES

CCN1C=C(C=N1)N(C)C(C2=CC=CC=C2)C(C(C)NC(=O)C3=CC(=CC=C3)C(=O)N(C)CC4=NC(=CS4)C)O

InChI

InChI=1S/C30H36N6O3S/c1-6-36-17-25(16-31-36)35(5)27(22-11-8-7-9-12-22)28(37)21(3)33-29(38)23-13-10-14-24(15-23)30(39)34(4)18-26-32-20(2)19-40-26/h7-17,19,21,27-28,37H,6,18H2,1-5H3,(H,33,38)