4-tert-butyl-N-[2-methyl-3-[2-[[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-methyl-3-[2-[[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-[4-(3-isopropoxypropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-[oxo-(3-propan-2-yloxypropylamino)methyl]anilino]-4-pyrimidinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(3-propan-2-yloxypropylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[2-[4-(3-isopropoxypropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide Formula: C35H41N5O3 MolecularWeight: 579.73174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)NCCCOC(C)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)NCCCOC(C)C

InChI

InChI=1S/C35H41N5O3/c1-23(2)43-22-8-20-36-32(41)25-13-17-28(18-14-25)38-34-37-21-19-31(40-34)29-9-7-10-30(24(29)3)39-33(42)26-11-15-27(16-12-26)35(4,5)6/h7,9-19,21,23H,8,20,22H2,1-6H3,(H,36,41)(H,39,42)(H,37,38,40)