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

Systemtic Name: N-(4-bromophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-bromophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-bromophenyl)-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-bromophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-bromophenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C19H24BrN5O MolecularWeight: 418.33076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN5O/c1-13-14(2)21-15(3)22-18(13)24-9-4-10-25(12-11-24)19(26)23-17-7-5-16(20)6-8-17/h5-8H,4,9-12H2,1-3H3,(H,23,26)