N-(4-propan-2-ylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-propan-2-ylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-isopropylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-propan-2-ylphenyl)-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-p-cumenyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)C(C)C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)C(C)C)C)C

InChI

InChI=1S/C22H31N5O/c1-15(2)19-7-9-20(10-8-19)25-22(28)27-12-6-11-26(13-14-27)21-16(3)17(4)23-18(5)24-21/h7-10,15H,6,11-14H2,1-5H3,(H,25,28)